4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine

C14H19N5 — CID 80950009

IUPAC4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2ncccc2C)n1
InChIInChI=1S/C14H19N5/c1-3-5-13-18-12(15)8-14(19-13)17-9-11-10(2)6-4-7-16-11/h4,6-8H,3,5,9H2,1-2H3,(H3,15,17,18,19)
InChIKeyOKQDSMMTYPWEAD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds5

About 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine

4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80950009) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80950009
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2ncccc2C)n1
InChIInChI=1S/C14H19N5/c1-3-5-13-18-12(15)8-14(19-13)17-9-11-10(2)6-4-7-16-11/h4,6-8H,3,5,9H2,1-2H3,(H3,15,17,18,19)
InChIKeyOKQDSMMTYPWEAD-UHFFFAOYSA-N
XLogP2.33
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80949951
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 82748226
4-N-[(4-methylthiophen-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950406
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80950009) is 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCc2ncccc2C)n1.
What is the InChIKey of 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is OKQDSMMTYPWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-5-13-18-12(15)8-14(19-13)17-9-11-10(2)6-4-7-16-11/h4,6-8H,3,5,9H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80950009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).