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

C14H19N5 — CID 115265848

IUPAC4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(NCCc2ccccn2)ncn1
InChIInChI=1S/C14H19N5/c1-11(2)19-14-9-13(17-10-18-14)16-8-6-12-5-3-4-7-15-12/h3-5,7,9-11H,6,8H2,1-2H3,(H2,16,17,18,19)
InChIKeySMCIHIFRJYKLNN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds6

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

4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 115265848) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID115265848
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(NCCc2ccccn2)ncn1
InChIInChI=1S/C14H19N5/c1-11(2)19-14-9-13(17-10-18-14)16-8-6-12-5-3-4-7-15-12/h3-5,7,9-11H,6,8H2,1-2H3,(H2,16,17,18,19)
InChIKeySMCIHIFRJYKLNN-UHFFFAOYSA-N
XLogP2.35
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 115265848) is 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CC(C)Nc1cc(NCCc2ccccn2)ncn1.
What is the InChIKey of 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is SMCIHIFRJYKLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11(2)19-14-9-13(17-10-18-14)16-8-6-12-5-3-4-7-15-12/h3-5,7,9-11H,6,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115265848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).