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

C16H23F3N4O — CID 56862385

IUPACN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(N[C@H]2COC[C@@H]2N2CCCCC2)n1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)6-4-12-5-7-20-15(21-12)22-13-10-24-11-14(13)23-8-2-1-3-9-23/h5,7,13-14H,1-4,6,8-11H2,(H,20,21,22)/t13-,14-/m0/s1
InChIKeyCMGAWYZGKMPYFR-KBPBESRZSA-N
MW344.38 g/mol
LogP2.64
Rot. Bonds5

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

N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56862385) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56862385
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(N[C@H]2COC[C@@H]2N2CCCCC2)n1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)6-4-12-5-7-20-15(21-12)22-13-10-24-11-14(13)23-8-2-1-3-9-23/h5,7,13-14H,1-4,6,8-11H2,(H,20,21,22)/t13-,14-/m0/s1
InChIKeyCMGAWYZGKMPYFR-KBPBESRZSA-N
XLogP2.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine with MolForge

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Related Compounds

2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(2-methoxyethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466269
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
4-isopropyl-N-[(3R*,4R*)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]pyrimidin-2-amine
CID 72935950
2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255683
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
N-{1-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]piperidin-4-YL}pyrimidin-2-amine
CID 56861058
Ethyl 4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}piperidine-1-carboxylate
CID 56861108
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
4-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
CID 56862186
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}ethyl)imidazolidin-2-one
CID 56862662
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56862385) is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(N[C@H]2COC[C@@H]2N2CCCCC2)n1.
What is the InChIKey of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is CMGAWYZGKMPYFR-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23F3N4O/c17-16(18,19)6-4-12-5-7-20-15(21-12)22-13-10-24-11-14(13)23-8-2-1-3-9-23/h5,7,13-14H,1-4,6,8-11H2,(H,20,21,22)/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 344.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56862385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).