2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C15H19N5 — CID 80994161

IUPAC2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)Cc1ccncc1
InChIInChI=1S/C15H19N5/c1-10-13(16)18-14(12-3-4-12)19-15(10)20(2)9-11-5-7-17-8-6-11/h5-8,12H,3-4,9H2,1-2H3,(H2,16,18,19)
InChIKeyNNUWNOABLXHUBK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.28
Rot. Bonds4

About 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80994161) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80994161
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)Cc1ccncc1
InChIInChI=1S/C15H19N5/c1-10-13(16)18-14(12-3-4-12)19-15(10)20(2)9-11-5-7-17-8-6-11/h5-8,12H,3-4,9H2,1-2H3,(H2,16,18,19)
InChIKeyNNUWNOABLXHUBK-UHFFFAOYSA-N
XLogP2.28
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986494
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922
2-cyclopropyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 171691345
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80983282
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80995510
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918467
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80994161) is 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1N(C)Cc1ccncc1.
What is the InChIKey of 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is NNUWNOABLXHUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10-13(16)18-14(12-3-4-12)19-15(10)20(2)9-11-5-7-17-8-6-11/h5-8,12H,3-4,9H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.28, 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,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).