5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C12H15N5 — CID 80781986

IUPAC5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC(C)c1ccncc1
InChIInChI=1S/C12H15N5/c1-8-7-15-12(13)17-11(8)16-9(2)10-3-5-14-6-4-10/h3-7,9H,1-2H3,(H3,13,15,16,17)
InChIKeyRYVCTFPERAKCSQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.94
Rot. Bonds3

About 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80781986) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80781986
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC(C)c1ccncc1
InChIInChI=1S/C12H15N5/c1-8-7-15-12(13)17-11(8)16-9(2)10-3-5-14-6-4-10/h3-7,9H,1-2H3,(H3,13,15,16,17)
InChIKeyRYVCTFPERAKCSQ-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80781986) is 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cnc(N)nc1NC(C)c1ccncc1.
What is the InChIKey of 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is RYVCTFPERAKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-7-15-12(13)17-11(8)16-9(2)10-3-5-14-6-4-10/h3-7,9H,1-2H3,(H3,13,15,16,17).
What are the key properties of 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80781986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).