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

C18H28ClN5OS — CID 119668283

IUPACN-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl
InChIInChI=1S/C18H27N5OS.ClH/c1-2-3-6-14(10-19)22-17(24)13-5-4-8-23(11-13)16-15-7-9-25-18(15)21-12-20-16;/h7,9,12-14H,2-6,8,10-11,19H2,1H3,(H,22,24);1H
InChIKeyCZFTZXNNCPAKOJ-UHFFFAOYSA-N
MW397.98 g/mol
LogP2.96
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119668283) has the molecular formula C18H28ClN5OS and a molecular weight of 397.98 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119668283
Molecular FormulaC18H28ClN5OS
Molecular Weight397.98 g/mol
Exact Mass397.17
IUPAC NameN-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl
InChIInChI=1S/C18H27N5OS.ClH/c1-2-3-6-14(10-19)22-17(24)13-5-4-8-23(11-13)16-15-7-9-25-18(15)21-12-20-16;/h7,9,12-14H,2-6,8,10-11,19H2,1H3,(H,22,24);1H
InChIKeyCZFTZXNNCPAKOJ-UHFFFAOYSA-N
XLogP2.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.98
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119499104
(2R)-3-methyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119369272
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
4-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119352886
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methanone;hydrochloride
CID 119541949
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
(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
2-[2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 119353221
N-(3-methylpiperidin-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 120555723
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride (CID 119668283) is N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CCCN(c2ncnc3sccc23)C1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is CZFTZXNNCPAKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS.ClH/c1-2-3-6-14(10-19)22-17(24)13-5-4-8-23(11-13)16-15-7-9-25-18(15)21-12-20-16;/h7,9,12-14H,2-6,8,10-11,19H2,1H3,(H,22,24);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 397.98 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119668283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).