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

C20H25N5O — CID 131663736

IUPACN-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1cncc(CN2CCC3(COCc4cnc(NCC5CC5)nc43)C2)c1
InChIInChI=1S/C20H25N5O/c1-2-16(8-21-6-1)11-25-7-5-20(13-25)14-26-12-17-10-23-19(24-18(17)20)22-9-15-3-4-15/h1-2,6,8,10,15H,3-5,7,9,11-14H2,(H,22,23,24)
InChIKeyNUZBYOHTEZLTQV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.37
Rot. Bonds5

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

N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 131663736) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID131663736
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1cncc(CN2CCC3(COCc4cnc(NCC5CC5)nc43)C2)c1
InChIInChI=1S/C20H25N5O/c1-2-16(8-21-6-1)11-25-7-5-20(13-25)14-26-12-17-10-23-19(24-18(17)20)22-9-15-3-4-15/h1-2,6,8,10,15H,3-5,7,9,11-14H2,(H,22,23,24)
InChIKeyNUZBYOHTEZLTQV-UHFFFAOYSA-N
XLogP2.37
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131641129
2-pyridin-3-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131662921
2-pyridin-3-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];trihydrochloride
CID 155856195
N-(cyclopropylmethyl)-1'-(2-methoxyethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 134075872
1-[(8R)-2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]ethanone
CID 97401493
(8S)-1'-[(4-chlorophenyl)methyl]-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 98778628
1'-[(4-fluorophenyl)methyl]-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131639160
N-(furan-2-ylmethyl)-1'-[(3-methylphenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656961
2-(cyclopropylmethylamino)-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 134075875
1'-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131640517
4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131648726
1'-[(3-methoxyphenyl)methyl]-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131655121

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 131663736) is N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is c1cncc(CN2CCC3(COCc4cnc(NCC5CC5)nc43)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is NUZBYOHTEZLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-16(8-21-6-1)11-25-7-5-20(13-25)14-26-12-17-10-23-19(24-18(17)20)22-9-15-3-4-15/h1-2,6,8,10,15H,3-5,7,9,11-14H2,(H,22,23,24).
What are the key properties of N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 351.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 131663736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).