N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

C16H24N4O — CID 118741188

IUPACN-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCc1nc(NCC2CC2)nc2c1COCC21CCN(C)C1
InChIInChI=1S/C16H24N4O/c1-11-13-8-21-10-16(5-6-20(2)9-16)14(13)19-15(18-11)17-7-12-3-4-12/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyNSOZOWPWPDCKQC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.71
Rot. Bonds3

About N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 118741188) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID118741188
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCc1nc(NCC2CC2)nc2c1COCC21CCN(C)C1
InChIInChI=1S/C16H24N4O/c1-11-13-8-21-10-16(5-6-20(2)9-16)14(13)19-15(18-11)17-7-12-3-4-12/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyNSOZOWPWPDCKQC-UHFFFAOYSA-N
XLogP1.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-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-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 118741188) is N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is Cc1nc(NCC2CC2)nc2c1COCC21CCN(C)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is NSOZOWPWPDCKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-13-8-21-10-16(5-6-20(2)9-16)14(13)19-15(18-11)17-7-12-3-4-12/h12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 288.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1',4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 118741188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).