4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

C15H20N6 — CID 141306289

IUPAC4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CNc3ccccc3)nc(N)n2)C1
InChIInChI=1S/C15H20N6/c1-17-13-9-21(10-13)14-7-12(19-15(16)20-14)8-18-11-5-3-2-4-6-11/h2-7,13,17-18H,8-10H2,1H3,(H2,16,19,20)
InChIKeyNTEVOUFLHSMLDE-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.08
Rot. Bonds5

About 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (PubChem CID 141306289) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
PubChem CID141306289
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CNc3ccccc3)nc(N)n2)C1
InChIInChI=1S/C15H20N6/c1-17-13-9-21(10-13)14-7-12(19-15(16)20-14)8-18-11-5-3-2-4-6-11/h2-7,13,17-18H,8-10H2,1H3,(H2,16,19,20)
InChIKeyNTEVOUFLHSMLDE-UHFFFAOYSA-N
XLogP1.08
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (CID 141306289) is 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is CNC1CN(c2cc(CNc3ccccc3)nc(N)n2)C1.
What is the InChIKey of 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The InChIKey is NTEVOUFLHSMLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-17-13-9-21(10-13)14-7-12(19-15(16)20-14)8-18-11-5-3-2-4-6-11/h2-7,13,17-18H,8-10H2,1H3,(H2,16,19,20).
What are the key properties of 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 141306289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).