N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide

C24H44N6O — CID 143422402

IUPACN-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide
SMILESCCCN(C)CCNC1(C)C(C)C=CC2=NC(CNC)=C(CNC(=O)CC(C)C)CN21
InChIInChI=1S/C24H44N6O/c1-8-12-29(7)13-11-27-24(5)19(4)9-10-22-28-21(16-25-6)20(17-30(22)24)15-26-23(31)14-18(2)3/h9-10,18-19,25,27H,8,11-17H2,1-7H3,(H,26,31)
InChIKeyVZNJXYWQXGWPJS-UHFFFAOYSA-N
MW432.66 g/mol
LogP2.19
Rot. Bonds12

About N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide

N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide (PubChem CID 143422402) has the molecular formula C24H44N6O and a molecular weight of 432.66 g/mol. Its IUPAC name is N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide
PubChem CID143422402
Molecular FormulaC24H44N6O
Molecular Weight432.66 g/mol
Exact Mass432.36
IUPAC NameN-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide
SMILESCCCN(C)CCNC1(C)C(C)C=CC2=NC(CNC)=C(CNC(=O)CC(C)C)CN21
InChIInChI=1S/C24H44N6O/c1-8-12-29(7)13-11-27-24(5)19(4)9-10-22-28-21(16-25-6)20(17-30(22)24)15-26-23(31)14-18(2)3/h9-10,18-19,25,27H,8,11-17H2,1-7H3,(H,26,31)
InChIKeyVZNJXYWQXGWPJS-UHFFFAOYSA-N
XLogP2.19
TPSA72.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.66
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide (CID 143422402) is N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide is CCCN(C)CCNC1(C)C(C)C=CC2=NC(CNC)=C(CNC(=O)CC(C)C)CN21.
What is the InChIKey of N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide?
The InChIKey is VZNJXYWQXGWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N6O/c1-8-12-29(7)13-11-27-24(5)19(4)9-10-22-28-21(16-25-6)20(17-30(22)24)15-26-23(31)14-18(2)3/h9-10,18-19,25,27H,8,11-17H2,1-7H3,(H,26,31).
What are the key properties of N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide?
N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide has a molecular weight of 432.66 g/mol, XLogP of 2.19, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dimethyl-2-(methylaminomethyl)-6-[2-[methyl(propyl)amino]ethylamino]-4,7-dihydropyrido[1,2-a]pyrimidin-3-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 143422402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).