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

C18H22N6O — CID 118739522

IUPACN-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1cc(N2CCC3(COCc4cnc(NCC5CC5)nc43)C2)ncn1
InChIInChI=1S/C18H22N6O/c1-2-13(1)7-20-17-21-8-14-9-25-11-18(16(14)23-17)4-6-24(10-18)15-3-5-19-12-22-15/h3,5,8,12-13H,1-2,4,6-7,9-11H2,(H,20,21,23)
InChIKeyJWXOKNFVHDJQRE-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.77
Rot. Bonds4

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

N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 118739522) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID118739522
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1cc(N2CCC3(COCc4cnc(NCC5CC5)nc43)C2)ncn1
InChIInChI=1S/C18H22N6O/c1-2-13(1)7-20-17-21-8-14-9-25-11-18(16(14)23-17)4-6-24(10-18)15-3-5-19-12-22-15/h3,5,8,12-13H,1-2,4,6-7,9-11H2,(H,20,21,23)
InChIKeyJWXOKNFVHDJQRE-UHFFFAOYSA-N
XLogP1.77
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 118739522) is N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is c1cc(N2CCC3(COCc4cnc(NCC5CC5)nc43)C2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is JWXOKNFVHDJQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-13(1)7-20-17-21-8-14-9-25-11-18(16(14)23-17)4-6-24(10-18)15-3-5-19-12-22-15/h3,5,8,12-13H,1-2,4,6-7,9-11H2,(H,20,21,23).
What are the key properties of N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 338.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-pyrimidin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 118739522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).