4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine

C14H20N6 — CID 71525588

IUPAC4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine
SMILESCNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1
InChIInChI=1S/C14H20N6/c1-8(2)9-4-11-12(17-5-9)13(19-14(15)18-11)20-6-10(7-20)16-3/h4-5,8,10,16H,6-7H2,1-3H3,(H2,15,18,19)
InChIKeyFZFMJBHAXOKONN-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.14
Rot. Bonds3

About 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine

4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 71525588) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID71525588
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine
SMILESCNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1
InChIInChI=1S/C14H20N6/c1-8(2)9-4-11-12(17-5-9)13(19-14(15)18-11)20-6-10(7-20)16-3/h4-5,8,10,16H,6-7H2,1-3H3,(H2,15,18,19)
InChIKeyFZFMJBHAXOKONN-UHFFFAOYSA-N
XLogP1.14
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine (CID 71525588) is 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine is CNC1CN(c2nc(N)nc3cc(C(C)C)cnc23)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is FZFMJBHAXOKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-8(2)9-4-11-12(17-5-9)13(19-14(15)18-11)20-6-10(7-20)16-3/h4-5,8,10,16H,6-7H2,1-3H3,(H2,15,18,19).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-7-propan-2-ylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 71525588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).