N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C17H21F3N4S — CID 155535215

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(CC4CC4)CC3)ncnc2s1
InChIInChI=1S/C17H21F3N4S/c18-17(19,20)8-13-7-14-15(21-10-22-16(14)25-13)23-12-3-5-24(6-4-12)9-11-1-2-11/h7,10-12H,1-6,8-9H2,(H,21,22,23)
InChIKeyFUUKXIVVPBOGQX-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.08
Rot. Bonds5

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155535215) has the molecular formula C17H21F3N4S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID155535215
Molecular FormulaC17H21F3N4S
Molecular Weight370.44 g/mol
Exact Mass370.14
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(CC4CC4)CC3)ncnc2s1
InChIInChI=1S/C17H21F3N4S/c18-17(19,20)8-13-7-14-15(21-10-22-16(14)25-13)23-12-3-5-24(6-4-12)9-11-1-2-11/h7,10-12H,1-6,8-9H2,(H,21,22,23)
InChIKeyFUUKXIVVPBOGQX-UHFFFAOYSA-N
XLogP4.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 155535215) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)Cc1cc2c(NC3CCN(CC4CC4)CC3)ncnc2s1.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FUUKXIVVPBOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4S/c18-17(19,20)8-13-7-14-15(21-10-22-16(14)25-13)23-12-3-5-24(6-4-12)9-11-1-2-11/h7,10-12H,1-6,8-9H2,(H,21,22,23).
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155535215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).