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

C13H18F3N3O — CID 56878729

IUPACN-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CC1CCCO1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-19(9-11-3-2-8-20-11)12-17-7-5-10(18-12)4-6-13(14,15)16/h5,7,11H,2-4,6,8-9H2,1H3
InChIKeyPSSIKVLBBPNXMN-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.59
Rot. Bonds5

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

N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56878729) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56878729
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CC1CCCO1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-19(9-11-3-2-8-20-11)12-17-7-5-10(18-12)4-6-13(14,15)16/h5,7,11H,2-4,6,8-9H2,1H3
InChIKeyPSSIKVLBBPNXMN-UHFFFAOYSA-N
XLogP2.59
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401090
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 133498461
N-methyl-N-(oxolan-2-ylmethyl)-5-propyl-1,2,4-oxadiazol-3-amine
CID 131926915
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63077663
4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
CID 83061179

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56878729) is N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(CC1CCCO1)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is PSSIKVLBBPNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(9-11-3-2-8-20-11)12-17-7-5-10(18-12)4-6-13(14,15)16/h5,7,11H,2-4,6,8-9H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56878729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).