[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone

C15H23N5OS — CID 3775706

IUPAC[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
SMILESCCCC(N)c1nc(C(=O)N2CCCN3CCCN=C32)cs1
InChIInChI=1S/C15H23N5OS/c1-2-5-11(16)13-18-12(10-22-13)14(21)20-9-4-8-19-7-3-6-17-15(19)20/h10-11H,2-9,16H2,1H3
InChIKeyCLWDZJWGSOFQQA-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.85
Rot. Bonds4

About [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone

[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone (PubChem CID 3775706) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
PubChem CID3775706
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
SMILESCCCC(N)c1nc(C(=O)N2CCCN3CCCN=C32)cs1
InChIInChI=1S/C15H23N5OS/c1-2-5-11(16)13-18-12(10-22-13)14(21)20-9-4-8-19-7-3-6-17-15(19)20/h10-11H,2-9,16H2,1H3
InChIKeyCLWDZJWGSOFQQA-UHFFFAOYSA-N
XLogP1.85
TPSA74.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone with MolForge

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Related Compounds

[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
CID 3719016
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 3746469
[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3834282
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propylazepan-1-yl)methanone
CID 66390338
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
(3S,8aS)-2-[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazole-4-carbonyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137340989
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylazepan-1-yl)methanone
CID 104689698
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
The IUPAC name of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone (CID 3775706) is [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone.
What is the SMILES notation for [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
The canonical SMILES for [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone is CCCC(N)c1nc(C(=O)N2CCCN3CCCN=C32)cs1.
What is the InChIKey of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
The InChIKey is CLWDZJWGSOFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-2-5-11(16)13-18-12(10-22-13)14(21)20-9-4-8-19-7-3-6-17-15(19)20/h10-11H,2-9,16H2,1H3.
What are the key properties of [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone has a molecular weight of 321.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone is sourced from PubChem (CID 3775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).