5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C13H17N5 — CID 80771465

IUPAC5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCc1cccnc1
InChIInChI=1S/C13H17N5/c1-9(2)11-12(14)17-8-18-13(11)16-7-10-4-3-5-15-6-10/h3-6,8-9H,7H2,1-2H3,(H3,14,16,17,18)
InChIKeyCUYABLUVEIGQGT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.19
Rot. Bonds4

About 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80771465) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80771465
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCc1cccnc1
InChIInChI=1S/C13H17N5/c1-9(2)11-12(14)17-8-18-13(11)16-7-10-4-3-5-15-6-10/h3-6,8-9H,7H2,1-2H3,(H3,14,16,17,18)
InChIKeyCUYABLUVEIGQGT-UHFFFAOYSA-N
XLogP2.19
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80816887
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 80771465) is 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCc1cccnc1.
What is the InChIKey of 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CUYABLUVEIGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9(2)11-12(14)17-8-18-13(11)16-7-10-4-3-5-15-6-10/h3-6,8-9H,7H2,1-2H3,(H3,14,16,17,18).
What are the key properties of 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80771465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).