4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine

C12H14N4 — CID 67521020

IUPAC4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
SMILESNCc1ccc(Cc2ccnc(N)n2)cc1
InChIInChI=1S/C12H14N4/c13-8-10-3-1-9(2-4-10)7-11-5-6-15-12(14)16-11/h1-6H,7-8,13H2,(H2,14,15,16)
InChIKeyZBANQFFUBPJEAP-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.11
Rot. Bonds3

About 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine

4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 67521020) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID67521020
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
SMILESNCc1ccc(Cc2ccnc(N)n2)cc1
InChIInChI=1S/C12H14N4/c13-8-10-3-1-9(2-4-10)7-11-5-6-15-12(14)16-11/h1-6H,7-8,13H2,(H2,14,15,16)
InChIKeyZBANQFFUBPJEAP-UHFFFAOYSA-N
XLogP1.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine (CID 67521020) is 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine is NCc1ccc(Cc2ccnc(N)n2)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is ZBANQFFUBPJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-8-10-3-1-9(2-4-10)7-11-5-6-15-12(14)16-11/h1-6H,7-8,13H2,(H2,14,15,16).
What are the key properties of 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine?
4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 67521020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).