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

C18H29N5O2 — CID 118739307

IUPAC2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C18H29N5O2/c1-12(2)8-19-17(24)23-7-6-18(10-23)11-25-9-14-13(3)20-16(22(4)5)21-15(14)18/h12H,6-11H2,1-5H3,(H,19,24)
InChIKeyIHCMQRYFSHDVJM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.69
Rot. Bonds3

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

2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (PubChem CID 118739307) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
PubChem CID118739307
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C18H29N5O2/c1-12(2)8-19-17(24)23-7-6-18(10-23)11-25-9-14-13(3)20-16(22(4)5)21-15(14)18/h12H,6-11H2,1-5H3,(H,19,24)
InChIKeyIHCMQRYFSHDVJM-UHFFFAOYSA-N
XLogP1.69
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.69
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-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (CID 118739307) is 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is Cc1nc(N(C)C)nc2c1COCC21CCN(C(=O)NCC(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is IHCMQRYFSHDVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(2)8-19-17(24)23-7-6-18(10-23)11-25-9-14-13(3)20-16(22(4)5)21-15(14)18/h12H,6-11H2,1-5H3,(H,19,24).
What are the key properties of 2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.69, 3 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-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 118739307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).