N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C18H22F3N5 — CID 56864640

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NC2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C18H22F3N5/c19-18(20,21)8-4-14-5-10-23-17(24-14)25-15-6-11-26(12-7-15)13-16-3-1-2-9-22-16/h1-3,5,9-10,15H,4,6-8,11-13H2,(H,23,24,25)
InChIKeyRFYSGZIYSJGRBE-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.44
Rot. Bonds6

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56864640) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56864640
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NC2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C18H22F3N5/c19-18(20,21)8-4-14-5-10-23-17(24-14)25-15-6-11-26(12-7-15)13-16-3-1-2-9-22-16/h1-3,5,9-10,15H,4,6-8,11-13H2,(H,23,24,25)
InChIKeyRFYSGZIYSJGRBE-UHFFFAOYSA-N
XLogP3.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95558339
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761376
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,8-naphthyridin-2-amine
CID 167808422
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 133318293
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56864640) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NC2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is RFYSGZIYSJGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c19-18(20,21)8-4-14-5-10-23-17(24-14)25-15-6-11-26(12-7-15)13-16-3-1-2-9-22-16/h1-3,5,9-10,15H,4,6-8,11-13H2,(H,23,24,25).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 365.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56864640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).