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

C17H27N5O2 — CID 118739705

IUPAC2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C17H27N5O2/c1-11(2)18-16(23)22-7-6-17(9-22)10-24-8-13-12(3)19-15(21(4)5)20-14(13)17/h11H,6-10H2,1-5H3,(H,18,23)
InChIKeyXGCOQRHSFWAUBN-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.44
Rot. Bonds2

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

2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (PubChem CID 118739705) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
PubChem CID118739705
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C17H27N5O2/c1-11(2)18-16(23)22-7-6-17(9-22)10-24-8-13-12(3)19-15(21(4)5)20-14(13)17/h11H,6-10H2,1-5H3,(H,18,23)
InChIKeyXGCOQRHSFWAUBN-UHFFFAOYSA-N
XLogP1.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (CID 118739705) is 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is Cc1nc(N(C)C)nc2c1COCC21CCN(C(=O)NC(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is XGCOQRHSFWAUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)18-16(23)22-7-6-17(9-22)10-24-8-13-12(3)19-15(21(4)5)20-14(13)17/h11H,6-10H2,1-5H3,(H,18,23).
What are the key properties of 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 118739705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).