N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C14H20F3N3O — CID 56873098

IUPACN-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CC1CCCCO1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-20(10-12-4-2-3-9-21-12)13-18-8-6-11(19-13)5-7-14(15,16)17/h6,8,12H,2-5,7,9-10H2,1H3
InChIKeyWIBOFDXQCSASNR-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.98
Rot. Bonds5

About N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56873098) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56873098
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CC1CCCCO1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-20(10-12-4-2-3-9-21-12)13-18-8-6-11(19-13)5-7-14(15,16)17/h6,8,12H,2-5,7,9-10H2,1H3
InChIKeyWIBOFDXQCSASNR-UHFFFAOYSA-N
XLogP2.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
[1-({Methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)cyclopropyl]methanol
CID 56917961
6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 84592103
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
N-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863545
4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane dihydrochloride
CID 56863713
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864271
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
N-{[4-(methylsulfonyl)morpholin-2-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865810
1-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}propan-2-OL
CID 56866102
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56873098) is N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(CC1CCCCO1)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is WIBOFDXQCSASNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20(10-12-4-2-3-9-21-12)13-18-8-6-11(19-13)5-7-14(15,16)17/h6,8,12H,2-5,7,9-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56873098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).