4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine

C21H30N4S — CID 144817924

IUPAC4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1nc(SCCN)cc(C2CCC2c2ccccc2)n1
InChIInChI=1S/C21H30N4S/c1-15(2)10-12-23-21-24-19(14-20(25-21)26-13-11-22)18-9-8-17(18)16-6-4-3-5-7-16/h3-7,14-15,17-18H,8-13,22H2,1-2H3,(H,23,24,25)
InChIKeyQRTYMHRRHKABPZ-UHFFFAOYSA-N
MW370.57 g/mol
LogP4.65
Rot. Bonds9

About 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine

4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine (PubChem CID 144817924) has the molecular formula C21H30N4S and a molecular weight of 370.57 g/mol. Its IUPAC name is 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine
PubChem CID144817924
Molecular FormulaC21H30N4S
Molecular Weight370.57 g/mol
Exact Mass370.22
IUPAC Name4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1nc(SCCN)cc(C2CCC2c2ccccc2)n1
InChIInChI=1S/C21H30N4S/c1-15(2)10-12-23-21-24-19(14-20(25-21)26-13-11-22)18-9-8-17(18)16-6-4-3-5-7-16/h3-7,14-15,17-18H,8-13,22H2,1-2H3,(H,23,24,25)
InChIKeyQRTYMHRRHKABPZ-UHFFFAOYSA-N
XLogP4.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine
CID 144818045
4-(2-aminoethylsulfanyl)-N-hexyl-6-(2-phenylcyclobutyl)pyrimidin-2-amine
CID 144817929
4-(2-aminoethylsulfanyl)-N-methyl-6-(2-phenylcyclobutyl)pyrimidin-2-amine;4-(2-aminoethylsulfanyl)-N-methylpyrimidin-2-amine;benzene
CID 144817990
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
4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-methylpropyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-propan-2-ylpyrimidin-2-amine
CID 157230856
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine
CID 144818068
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
N-benzyl-4,6-bis(3-methylbutyl)pyrimidin-2-amine
CID 25130562
2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 144818082
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-bromophenyl)methyl]-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23984676

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine (CID 144817924) is 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine is CC(C)CCNc1nc(SCCN)cc(C2CCC2c2ccccc2)n1.
What is the InChIKey of 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine?
The InChIKey is QRTYMHRRHKABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4S/c1-15(2)10-12-23-21-24-19(14-20(25-21)26-13-11-22)18-9-8-17(18)16-6-4-3-5-7-16/h3-7,14-15,17-18H,8-13,22H2,1-2H3,(H,23,24,25).
What are the key properties of 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine?
4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine has a molecular weight of 370.57 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfanyl)-N-(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidin-2-amine is sourced from PubChem (CID 144817924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).