N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine

C15H15N5 — CID 116974940

IUPACN-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESNCc1ccc(Nc2ncc(-c3cc[nH]c3)cn2)cc1
InChIInChI=1S/C15H15N5/c16-7-11-1-3-14(4-2-11)20-15-18-9-13(10-19-15)12-5-6-17-8-12/h1-6,8-10,17H,7,16H2,(H,18,19,20)
InChIKeyPBFLXFYBYLDSHY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine

N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine (PubChem CID 116974940) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
PubChem CID116974940
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESNCc1ccc(Nc2ncc(-c3cc[nH]c3)cn2)cc1
InChIInChI=1S/C15H15N5/c16-7-11-1-3-14(4-2-11)20-15-18-9-13(10-19-15)12-5-6-17-8-12/h1-6,8-10,17H,7,16H2,(H,18,19,20)
InChIKeyPBFLXFYBYLDSHY-UHFFFAOYSA-N
XLogP2.67
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine (CID 116974940) is N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine is NCc1ccc(Nc2ncc(-c3cc[nH]c3)cn2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The InChIKey is PBFLXFYBYLDSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-7-11-1-3-14(4-2-11)20-15-18-9-13(10-19-15)12-5-6-17-8-12/h1-6,8-10,17H,7,16H2,(H,18,19,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 116974940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).