N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine

C16H20N6O — CID 171995695

IUPACN-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(c3ccnc(C4CC4)n3)C2)n1
InChIInChI=1S/C16H20N6O/c1-23-14-5-8-18-16(21-14)19-12-6-9-22(10-12)13-4-7-17-15(20-13)11-2-3-11/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,18,19,21)
InChIKeyRKWBANPGEBLZCJ-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.84
Rot. Bonds5

About N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine

N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine (PubChem CID 171995695) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
PubChem CID171995695
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(c3ccnc(C4CC4)n3)C2)n1
InChIInChI=1S/C16H20N6O/c1-23-14-5-8-18-16(21-14)19-12-6-9-22(10-12)13-4-7-17-15(20-13)11-2-3-11/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,18,19,21)
InChIKeyRKWBANPGEBLZCJ-UHFFFAOYSA-N
XLogP1.84
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine (CID 171995695) is N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC2CCN(c3ccnc(C4CC4)n3)C2)n1.
What is the InChIKey of N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
The InChIKey is RKWBANPGEBLZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-23-14-5-8-18-16(21-14)19-12-6-9-22(10-12)13-4-7-17-15(20-13)11-2-3-11/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,18,19,21).
What are the key properties of N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine?
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 171995695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).