N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine

C11H13N5 — CID 116974667

IUPACN-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
SMILESc1c[nH]c(-c2cnc(NC3CNC3)nc2)c1
InChIInChI=1S/C11H13N5/c1-2-10(13-3-1)8-4-14-11(15-5-8)16-9-6-12-7-9/h1-5,9,12-13H,6-7H2,(H,14,15,16)
InChIKeyVPGMZPOTSHCWMJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.86
Rot. Bonds3

About N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine

N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine (PubChem CID 116974667) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
PubChem CID116974667
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
SMILESc1c[nH]c(-c2cnc(NC3CNC3)nc2)c1
InChIInChI=1S/C11H13N5/c1-2-10(13-3-1)8-4-14-11(15-5-8)16-9-6-12-7-9/h1-5,9,12-13H,6-7H2,(H,14,15,16)
InChIKeyVPGMZPOTSHCWMJ-UHFFFAOYSA-N
XLogP0.86
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 116974949
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
CID 116974648
4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 116974905
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116975951
2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole
CID 116877459
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine
CID 116976465

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine (CID 116974667) is N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine is c1c[nH]c(-c2cnc(NC3CNC3)nc2)c1.
What is the InChIKey of N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The InChIKey is VPGMZPOTSHCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-10(13-3-1)8-4-14-11(15-5-8)16-9-6-12-7-9/h1-5,9,12-13H,6-7H2,(H,14,15,16).
What are the key properties of N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine has a molecular weight of 215.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 116974667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).