2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

C38H62N8 — CID 144818020

IUPAC2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1cc(C2CCC2c2ccccc2)nc(NCCC(C)C)n1.CC(C)CCNc1ccnc(NCCC(C)C)n1
InChIInChI=1S/C24H36N4.C14H26N4/c1-17(2)12-14-25-23-16-22(27-24(28-23)26-15-13-18(3)4)21-11-10-20(21)19-8-6-5-7-9-19;1-11(2)5-8-15-13-7-10-17-14(18-13)16-9-6-12(3)4/h5-9,16-18,20-21H,10-15H2,1-4H3,(H2,25,26,27,28);7,10-12H,5-6,8-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyGQDWYYGXZYUYBB-UHFFFAOYSA-N
MW630.97 g/mol
LogP9.45
Rot. Bonds18

About 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 144818020) has the molecular formula C38H62N8 and a molecular weight of 630.97 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID144818020
Molecular FormulaC38H62N8
Molecular Weight630.97 g/mol
Exact Mass630.51
IUPAC Name2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1cc(C2CCC2c2ccccc2)nc(NCCC(C)C)n1.CC(C)CCNc1ccnc(NCCC(C)C)n1
InChIInChI=1S/C24H36N4.C14H26N4/c1-17(2)12-14-25-23-16-22(27-24(28-23)26-15-13-18(3)4)21-11-10-20(21)19-8-6-5-7-9-19;1-11(2)5-8-15-13-7-10-17-14(18-13)16-9-6-12(3)4/h5-9,16-18,20-21H,10-15H2,1-4H3,(H2,25,26,27,28);7,10-12H,5-6,8-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyGQDWYYGXZYUYBB-UHFFFAOYSA-N
XLogP9.45
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.97
LogP ≤ 59.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine
CID 144818068
4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine
CID 144817924
2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 144818082
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112891121
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895255
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895145

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (CID 144818020) is 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCNc1cc(C2CCC2c2ccccc2)nc(NCCC(C)C)n1.CC(C)CCNc1ccnc(NCCC(C)C)n1.
What is the InChIKey of 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is GQDWYYGXZYUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4.C14H26N4/c1-17(2)12-14-25-23-16-22(27-24(28-23)26-15-13-18(3)4)21-11-10-20(21)19-8-6-5-7-9-19;1-11(2)5-8-15-13-7-10-17-14(18-13)16-9-6-12(3)4/h5-9,16-18,20-21H,10-15H2,1-4H3,(H2,25,26,27,28);7,10-12H,5-6,8-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 630.97 g/mol, XLogP of 9.45, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 144818020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).