5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

C14H19N5 — CID 80779879

IUPAC5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC(C)c1cccnc1
InChIInChI=1S/C14H19N5/c1-9(2)12-13(15)17-8-18-14(12)19-10(3)11-5-4-6-16-7-11/h4-10H,1-3H3,(H3,15,17,18,19)
InChIKeyILWBAADBKBJPPX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds4

About 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80779879) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80779879
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC(C)c1cccnc1
InChIInChI=1S/C14H19N5/c1-9(2)12-13(15)17-8-18-14(12)19-10(3)11-5-4-6-16-7-11/h4-10H,1-3H3,(H3,15,17,18,19)
InChIKeyILWBAADBKBJPPX-UHFFFAOYSA-N
XLogP2.75
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
5-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80780923
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
N-[(1R)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 94878018
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782939

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (CID 80779879) is 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NC(C)c1cccnc1.
What is the InChIKey of 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is ILWBAADBKBJPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9(2)12-13(15)17-8-18-14(12)19-10(3)11-5-4-6-16-7-11/h4-10H,1-3H3,(H3,15,17,18,19).
What are the key properties of 5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.75, 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-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80779879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).