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

C14H19N5 — CID 117089684

IUPAC5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCc2cccnc2)ncc1C
InChIInChI=1S/C14H19N5/c1-3-6-16-13-11(2)8-17-14(19-13)18-10-12-5-4-7-15-9-12/h4-5,7-9H,3,6,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyWMHWXRMPBMMATK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds6

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

5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 117089684) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID117089684
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCc2cccnc2)ncc1C
InChIInChI=1S/C14H19N5/c1-3-6-16-13-11(2)8-17-14(19-13)18-10-12-5-4-7-15-9-12/h4-5,7-9H,3,6,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyWMHWXRMPBMMATK-UHFFFAOYSA-N
XLogP2.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117087930
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
4-N-[(3-methoxyphenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80773950
4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80833018
N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
CID 102536371
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737154
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 117089684) is 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCCNc1nc(NCc2cccnc2)ncc1C.
What is the InChIKey of 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is WMHWXRMPBMMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-6-16-13-11(2)8-17-14(19-13)18-10-12-5-4-7-15-9-12/h4-5,7-9H,3,6,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117089684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).