5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine

C18H24N6O — CID 86303995

IUPAC5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC1CCCN1c1nc(-c2cnc(N)nc2)cc(C2CCOCC2)n1
InChIInChI=1S/C18H24N6O/c1-12-3-2-6-24(12)18-22-15(13-4-7-25-8-5-13)9-16(23-18)14-10-20-17(19)21-11-14/h9-13H,2-8H2,1H3,(H2,19,20,21)
InChIKeyJAZSQIUOZOFYBR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.40
Rot. Bonds3

About 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine

5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 86303995) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID86303995
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC1CCCN1c1nc(-c2cnc(N)nc2)cc(C2CCOCC2)n1
InChIInChI=1S/C18H24N6O/c1-12-3-2-6-24(12)18-22-15(13-4-7-25-8-5-13)9-16(23-18)14-10-20-17(19)21-11-14/h9-13H,2-8H2,1H3,(H2,19,20,21)
InChIKeyJAZSQIUOZOFYBR-UHFFFAOYSA-N
XLogP2.40
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SB-242235
CID 9863367
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
CXCR4 antagonist 6
CID 138501464
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-isopropoxy-pyrimidine
CID 12084786
2-Ethoxy-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 17917696
4-[5-(4-Fluoro-phenyl)-3-(tetrahydro-pyran-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464162
5-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-amine
CID 24889937
4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
CID 57404836

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine (CID 86303995) is 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine is CC1CCCN1c1nc(-c2cnc(N)nc2)cc(C2CCOCC2)n1.
What is the InChIKey of 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is JAZSQIUOZOFYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-3-2-6-24(12)18-22-15(13-4-7-25-8-5-13)9-16(23-18)14-10-20-17(19)21-11-14/h9-13H,2-8H2,1H3,(H2,19,20,21).
What are the key properties of 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpyrrolidin-1-yl)-6-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 86303995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).