1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one

C19H30N4O2 — CID 131658910

IUPAC1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-13(2)6-7-16(24)23-9-8-19(11-23)12-25-10-15-14(3)20-18(22(4)5)21-17(15)19/h13H,6-12H2,1-5H3
InChIKeyHXCIZJBIJNMTOI-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one

1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one (PubChem CID 131658910) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
PubChem CID131658910
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-13(2)6-7-16(24)23-9-8-19(11-23)12-25-10-15-14(3)20-18(22(4)5)21-17(15)19/h13H,6-12H2,1-5H3
InChIKeyHXCIZJBIJNMTOI-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one (CID 131658910) is 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one is Cc1nc(N(C)C)nc2c1COCC21CCN(C(=O)CCC(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one?
The InChIKey is HXCIZJBIJNMTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)6-7-16(24)23-9-8-19(11-23)12-25-10-15-14(3)20-18(22(4)5)21-17(15)19/h13H,6-12H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one?
1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one has a molecular weight of 346.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one is sourced from PubChem (CID 131658910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).