2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine

C26H38N8 — CID 144818068

IUPAC2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCNc1cc(C2CCC2c2ccccc2)nc(NCC)n1.CCNc1ccnc(NCC)n1
InChIInChI=1S/C18H24N4.C8H14N4/c1-3-19-17-12-16(21-18(22-17)20-4-2)15-11-10-14(15)13-8-6-5-7-9-13;1-3-9-7-5-6-11-8(12-7)10-4-2/h5-9,12,14-15H,3-4,10-11H2,1-2H3,(H2,19,20,21,22);5-6H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyXMADCUPIQJTNAC-UHFFFAOYSA-N
MW462.65 g/mol
LogP5.34
Rot. Bonds10

About 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine

2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 144818068) has the molecular formula C26H38N8 and a molecular weight of 462.65 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID144818068
Molecular FormulaC26H38N8
Molecular Weight462.65 g/mol
Exact Mass462.32
IUPAC Name2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCNc1cc(C2CCC2c2ccccc2)nc(NCC)n1.CCNc1ccnc(NCC)n1
InChIInChI=1S/C18H24N4.C8H14N4/c1-3-19-17-12-16(21-18(22-17)20-4-2)15-11-10-14(15)13-8-6-5-7-9-13;1-3-9-7-5-6-11-8(12-7)10-4-2/h5-9,12,14-15H,3-4,10-11H2,1-2H3,(H2,19,20,21,22);5-6H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyXMADCUPIQJTNAC-UHFFFAOYSA-N
XLogP5.34
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.65
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 144818082
[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 134698233
N-benzyl-2-chloro-6-[(1S)-2-phenylcyclobutyl]pyrimidin-4-amine;2,4-dichloropyrimidine
CID 144817965
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
4-(2-aminoethylsulfanyl)-N-methyl-6-(2-phenylcyclobutyl)pyrimidin-2-amine;4-(2-aminoethylsulfanyl)-N-methylpyrimidin-2-amine;benzene
CID 144817990
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
6-[3-[2,6-bis(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 46871793
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine (CID 144818068) is 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine is CCNc1cc(C2CCC2c2ccccc2)nc(NCC)n1.CCNc1ccnc(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is XMADCUPIQJTNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.C8H14N4/c1-3-19-17-12-16(21-18(22-17)20-4-2)15-11-10-14(15)13-8-6-5-7-9-13;1-3-9-7-5-6-11-8(12-7)10-4-2/h5-9,12,14-15H,3-4,10-11H2,1-2H3,(H2,19,20,21,22);5-6H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine?
2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine has a molecular weight of 462.65 g/mol, XLogP of 5.34, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 144818068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).