N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide

C13H16N4OS — CID 143478647

IUPACN-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide
SMILESO=CNCC1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C13H16N4OS/c18-9-14-7-10-1-4-17(5-2-10)13-12-11(3-6-19-12)15-8-16-13/h3,6,8-10H,1-2,4-5,7H2,(H,14,18)
InChIKeyZQZAEDIVHFVMJD-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.65
Rot. Bonds4

About N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide

N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide (PubChem CID 143478647) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide
PubChem CID143478647
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide
SMILESO=CNCC1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C13H16N4OS/c18-9-14-7-10-1-4-17(5-2-10)13-12-11(3-6-19-12)15-8-16-13/h3,6,8-10H,1-2,4-5,7H2,(H,14,18)
InChIKeyZQZAEDIVHFVMJD-UHFFFAOYSA-N
XLogP1.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62593365
4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 70706090
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 52874103
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 136534406
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
CID 97310494

Frequently Asked Questions

What is the IUPAC name of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide?
The IUPAC name of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide (CID 143478647) is N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide is O=CNCC1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide?
The InChIKey is ZQZAEDIVHFVMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-9-14-7-10-1-4-17(5-2-10)13-12-11(3-6-19-12)15-8-16-13/h3,6,8-10H,1-2,4-5,7H2,(H,14,18).
What are the key properties of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide?
N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide has a molecular weight of 276.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 143478647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).