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

C14H19N5 — CID 80968080

IUPAC2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-9(2)14-18-12(15)7-13(19-14)17-10(3)11-5-4-6-16-8-11/h4-10H,1-3H3,(H3,15,17,18,19)
InChIKeyUKEZOABARKBOSI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds4

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

2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80968080) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80968080
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-9(2)14-18-12(15)7-13(19-14)17-10(3)11-5-4-6-16-8-11/h4-10H,1-3H3,(H3,15,17,18,19)
InChIKeyUKEZOABARKBOSI-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

6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80545517
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80940280
6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
6-(1-pyridin-3-ylethylamino)pyridine-2-carbothioamide
CID 64588051

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (CID 80968080) is 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NC(C)c2cccnc2)n1.
What is the InChIKey of 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is UKEZOABARKBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9(2)14-18-12(15)7-13(19-14)17-10(3)11-5-4-6-16-8-11/h4-10H,1-3H3,(H3,15,17,18,19).
What are the key properties of 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
2-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 2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80968080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).