2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine

C18H24N4S — CID 133300088

IUPAC2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESc1csc(CN2CCC(CNc3ccnc(C4CC4)n3)CC2)c1
InChIInChI=1S/C18H24N4S/c1-2-16(23-11-1)13-22-9-6-14(7-10-22)12-20-17-5-8-19-18(21-17)15-3-4-15/h1-2,5,8,11,14-15H,3-4,6-7,9-10,12-13H2,(H,19,20,21)
InChIKeySOFZCDIDDYTRLC-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.74
Rot. Bonds6

About 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 133300088) has the molecular formula C18H24N4S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID133300088
Molecular FormulaC18H24N4S
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESc1csc(CN2CCC(CNc3ccnc(C4CC4)n3)CC2)c1
InChIInChI=1S/C18H24N4S/c1-2-16(23-11-1)13-22-9-6-14(7-10-22)12-20-17-5-8-19-18(21-17)15-3-4-15/h1-2,5,8,11,14-15H,3-4,6-7,9-10,12-13H2,(H,19,20,21)
InChIKeySOFZCDIDDYTRLC-UHFFFAOYSA-N
XLogP3.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
CID 122151089
3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133469202
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133284621
2-methyl-1-propan-2-yl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111125522
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
4-ethoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888327

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 133300088) is 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine is c1csc(CN2CCC(CNc3ccnc(C4CC4)n3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is SOFZCDIDDYTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-2-16(23-11-1)13-22-9-6-14(7-10-22)12-20-17-5-8-19-18(21-17)15-3-4-15/h1-2,5,8,11,14-15H,3-4,6-7,9-10,12-13H2,(H,19,20,21).
What are the key properties of 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133300088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).