4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C15H21N5 — CID 80787782

IUPAC4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)Cc2cccnc2)n1
InChIInChI=1S/C15H21N5/c1-4-7-17-15-18-9-12(2)14(19-15)20(3)11-13-6-5-8-16-10-13/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,18,19)
InChIKeyVXIGFOFMYGFMGQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.64
Rot. Bonds6

About 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80787782) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80787782
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)Cc2cccnc2)n1
InChIInChI=1S/C15H21N5/c1-4-7-17-15-18-9-12(2)14(19-15)20(3)11-13-6-5-8-16-10-13/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,18,19)
InChIKeyVXIGFOFMYGFMGQ-UHFFFAOYSA-N
XLogP2.64
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80788051
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80829683
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117089684
4-N,5-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80831497
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 80787782) is 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCCNc1ncc(C)c(N(C)Cc2cccnc2)n1.
What is the InChIKey of 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VXIGFOFMYGFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-7-17-15-18-9-12(2)14(19-15)20(3)11-13-6-5-8-16-10-13/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80787782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).