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

C22H27FN4O — CID 131656543

IUPACN-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCc1nc(NCC2CC2)nc2c1COCC21CCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26)
InChIKeyYMQILTXHLHBFSK-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.42
Rot. Bonds5

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

N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 131656543) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID131656543
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCc1nc(NCC2CC2)nc2c1COCC21CCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26)
InChIKeyYMQILTXHLHBFSK-UHFFFAOYSA-N
XLogP3.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 131656543) is N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is Cc1nc(NCC2CC2)nc2c1COCC21CCN(Cc2ccccc2F)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is YMQILTXHLHBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26).
What are the key properties of N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 382.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 131656543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).