2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine

C18H26N4 — CID 112932435

IUPAC2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(-c2ccccc2)nc(NCCC(C)C)n1
InChIInChI=1S/C18H26N4/c1-4-11-19-17-13-16(15-8-6-5-7-9-15)21-18(22-17)20-12-10-14(2)3/h5-9,13-14H,4,10-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyKGKDPXJKLIHPBN-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.42
Rot. Bonds8

About 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine

2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112932435) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID112932435
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(-c2ccccc2)nc(NCCC(C)C)n1
InChIInChI=1S/C18H26N4/c1-4-11-19-17-13-16(15-8-6-5-7-9-15)21-18(22-17)20-12-10-14(2)3/h5-9,13-14H,4,10-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyKGKDPXJKLIHPBN-UHFFFAOYSA-N
XLogP4.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65132208
4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
CID 112933581

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine (CID 112932435) is 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(-c2ccccc2)nc(NCCC(C)C)n1.
What is the InChIKey of 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is KGKDPXJKLIHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-11-19-17-13-16(15-8-6-5-7-9-15)21-18(22-17)20-12-10-14(2)3/h5-9,13-14H,4,10-12H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine?
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).