N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine

C13H16N4 — CID 104737154

IUPACN-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCCCNc1nccc(Cc2cccnc2)n1
InChIInChI=1S/C13H16N4/c1-2-6-15-13-16-8-5-12(17-13)9-11-4-3-7-14-10-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16,17)
InChIKeyVFUOLRLWFNJKEW-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.28
Rot. Bonds5

About N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine

N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 104737154) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID104737154
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCCCNc1nccc(Cc2cccnc2)n1
InChIInChI=1S/C13H16N4/c1-2-6-15-13-16-8-5-12(17-13)9-11-4-3-7-14-10-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16,17)
InChIKeyVFUOLRLWFNJKEW-UHFFFAOYSA-N
XLogP2.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 104737154) is N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine is CCCNc1nccc(Cc2cccnc2)n1.
What is the InChIKey of N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is VFUOLRLWFNJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-6-15-13-16-8-5-12(17-13)9-11-4-3-7-14-10-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16,17).
What are the key properties of N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 104737154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).