N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C19H23F3N6O — CID 126891026

IUPACN-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCc1nccc(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C19H23F3N6O/c1-29-11-16-23-7-4-17(26-16)27-8-5-14(6-9-27)28(13-2-3-13)18-10-15(19(20,21)22)24-12-25-18/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyOYBREVMHYASEFP-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.07
Rot. Bonds6

About N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126891026) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126891026
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC NameN-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCc1nccc(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C19H23F3N6O/c1-29-11-16-23-7-4-17(26-16)27-8-5-14(6-9-27)28(13-2-3-13)18-10-15(19(20,21)22)24-12-25-18/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyOYBREVMHYASEFP-UHFFFAOYSA-N
XLogP3.07
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126891026) is N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is COCc1nccc(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OYBREVMHYASEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O/c1-29-11-16-23-7-4-17(26-16)27-8-5-14(6-9-27)28(13-2-3-13)18-10-15(19(20,21)22)24-12-25-18/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 408.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126891026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).