N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide

C18H25N5OS — CID 119575525

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
SMILESCC(CN)(NC(=O)C1CCCN(c2ncnc3sccc23)C1)C1CC1
InChIInChI=1S/C18H25N5OS/c1-18(10-19,13-4-5-13)22-16(24)12-3-2-7-23(9-12)15-14-6-8-25-17(14)21-11-20-15/h6,8,11-13H,2-5,7,9-10,19H2,1H3,(H,22,24)
InChIKeyXTARJELLWIQGFP-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.15
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide (PubChem CID 119575525) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
PubChem CID119575525
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
SMILESCC(CN)(NC(=O)C1CCCN(c2ncnc3sccc23)C1)C1CC1
InChIInChI=1S/C18H25N5OS/c1-18(10-19,13-4-5-13)22-16(24)12-3-2-7-23(9-12)15-14-6-8-25-17(14)21-11-20-15/h6,8,11-13H,2-5,7,9-10,19H2,1H3,(H,22,24)
InChIKeyXTARJELLWIQGFP-UHFFFAOYSA-N
XLogP2.15
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide (CID 119575525) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide is CC(CN)(NC(=O)C1CCCN(c2ncnc3sccc23)C1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The InChIKey is XTARJELLWIQGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-18(10-19,13-4-5-13)22-16(24)12-3-2-7-23(9-12)15-14-6-8-25-17(14)21-11-20-15/h6,8,11-13H,2-5,7,9-10,19H2,1H3,(H,22,24).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).