N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride

C16H24ClN5OS — CID 119499104

IUPACN-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl
InChIInChI=1S/C16H23N5OS.ClH/c1-11(17)4-6-18-15(22)12-3-2-7-21(9-12)14-13-5-8-23-16(13)20-10-19-14;/h5,8,10-12H,2-4,6-7,9,17H2,1H3,(H,18,22);1H
InChIKeyYVXMMKMFESVZPF-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.18
Rot. Bonds5

About N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride

N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119499104) has the molecular formula C16H24ClN5OS and a molecular weight of 369.92 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119499104
Molecular FormulaC16H24ClN5OS
Molecular Weight369.92 g/mol
Exact Mass369.14
IUPAC NameN-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl
InChIInChI=1S/C16H23N5OS.ClH/c1-11(17)4-6-18-15(22)12-3-2-7-21(9-12)14-13-5-8-23-16(13)20-10-19-14;/h5,8,10-12H,2-4,6-7,9,17H2,1H3,(H,18,22);1H
InChIKeyYVXMMKMFESVZPF-UHFFFAOYSA-N
XLogP2.18
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119352886
(2R)-3-methyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119369272
N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119668283
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methanone;hydrochloride
CID 119541949
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225
N-(6-amino-3-pyridinyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119516362
2-[2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 119353221
(3S)-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 124882523
N-(3-hydroxybutyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 111429149
N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 120555723
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (CID 119499104) is N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is CC(N)CCNC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is YVXMMKMFESVZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS.ClH/c1-11(17)4-6-18-15(22)12-3-2-7-21(9-12)14-13-5-8-23-16(13)20-10-19-14;/h5,8,10-12H,2-4,6-7,9,17H2,1H3,(H,18,22);1H.
What are the key properties of N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119499104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).