2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

C20H24N4O2 — CID 118739472

IUPAC2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C20H24N4O2/c1-14(2)22-19(25)24-9-8-20(12-24)13-26-11-16-10-21-18(23-17(16)20)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyISXLAZFCWKIZAA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.74
Rot. Bonds2

About 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (PubChem CID 118739472) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
PubChem CID118739472
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C20H24N4O2/c1-14(2)22-19(25)24-9-8-20(12-24)13-26-11-16-10-21-18(23-17(16)20)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,22,25)
InChIKeyISXLAZFCWKIZAA-UHFFFAOYSA-N
XLogP2.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-(4-(4-morpholino-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl)phenyl)urea
CID 53236131
N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645257
1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
CID 155559468
[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 60198908
N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656543
2-anilino-N-[(4-fluorophenyl)methyl]-8-methyl-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide
CID 134806024
2-anilino-N-[(3-fluorophenyl)methyl]-8-methyl-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide
CID 134807494
(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
CID 97507059
2-(4-fluorophenyl)-N-(3-methoxypropyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 53147204
1-[2-(Ethoxymethyl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 72152613
N~12~-(3-Ethoxypropyl)-5-(4-fluorophenyl)-4,6,12-triazatricyclo[7.2.1.0~2,7~]dodeca-2(7),3,5-triene-12-carboxamide
CID 110196796
2-Phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739470

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (CID 118739472) is 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is CC(C)NC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is ISXLAZFCWKIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(2)22-19(25)24-9-8-20(12-24)13-26-11-16-10-21-18(23-17(16)20)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 118739472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).