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

C15H20N4S — CID 62593365

IUPACN-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
SMILESc1nc(N2CCC(CNC3CC3)CC2)c2sccc2n1
InChIInChI=1S/C15H20N4S/c1-2-12(1)16-9-11-3-6-19(7-4-11)15-14-13(5-8-20-14)17-10-18-15/h5,8,10-12,16H,1-4,6-7,9H2
InChIKeyGEDVOVOCEYAJAU-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.66
Rot. Bonds4

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

N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine (PubChem CID 62593365) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
PubChem CID62593365
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
SMILESc1nc(N2CCC(CNC3CC3)CC2)c2sccc2n1
InChIInChI=1S/C15H20N4S/c1-2-12(1)16-9-11-3-6-19(7-4-11)15-14-13(5-8-20-14)17-10-18-15/h5,8,10-12,16H,1-4,6-7,9H2
InChIKeyGEDVOVOCEYAJAU-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide
CID 143478647
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 70706090
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
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
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-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 86773022
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
CID 62593364

Frequently Asked Questions

What is the IUPAC name of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine (CID 62593365) is N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine is c1nc(N2CCC(CNC3CC3)CC2)c2sccc2n1.
What is the InChIKey of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine?
The InChIKey is GEDVOVOCEYAJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-12(1)16-9-11-3-6-19(7-4-11)15-14-13(5-8-20-14)17-10-18-15/h5,8,10-12,16H,1-4,6-7,9H2.
What are the key properties of N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine?
N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine has a molecular weight of 288.42 g/mol, XLogP of 2.66, 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]cyclopropanamine is sourced from PubChem (CID 62593365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).