2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C14H17N5 — CID 80967612

IUPAC2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cccnc1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H17N5/c1-19(9-10-3-2-6-16-8-10)13-7-12(15)17-14(18-13)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H2,15,17,18)
InChIKeyWAXIAIWFISOQMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.97
Rot. Bonds4

About 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80967612) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80967612
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cccnc1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H17N5/c1-19(9-10-3-2-6-16-8-10)13-7-12(15)17-14(18-13)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H2,15,17,18)
InChIKeyWAXIAIWFISOQMA-UHFFFAOYSA-N
XLogP1.97
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
2-cyclopropyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 171691345
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
2-hydrazinyl-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906105
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 80967612) is 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CN(Cc1cccnc1)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is WAXIAIWFISOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-19(9-10-3-2-6-16-8-10)13-7-12(15)17-14(18-13)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H2,15,17,18).
What are the key properties of 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 255.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80967612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).