N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine

C14H16F3N5O — CID 142164721

IUPACN-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine
SMILESC=C(CN(C)c1nccc(-n2cccn2)n1)OCCC(F)(F)F
InChIInChI=1S/C14H16F3N5O/c1-11(23-9-5-14(15,16)17)10-21(2)13-18-7-4-12(20-13)22-8-3-6-19-22/h3-4,6-8H,1,5,9-10H2,2H3
InChIKeySBSLMWRDGKAZHV-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.58
Rot. Bonds7

About N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine

N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine (PubChem CID 142164721) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine
PubChem CID142164721
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine
SMILESC=C(CN(C)c1nccc(-n2cccn2)n1)OCCC(F)(F)F
InChIInChI=1S/C14H16F3N5O/c1-11(23-9-5-14(15,16)17)10-21(2)13-18-7-4-12(20-13)22-8-3-6-19-22/h3-4,6-8H,1,5,9-10H2,2H3
InChIKeySBSLMWRDGKAZHV-UHFFFAOYSA-N
XLogP2.58
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(6-Pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 661544
4-[(1-Ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53557687
2-(Pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53559180
4-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559205
2-[(4-Methylpyrazol-1-yl)methyl]-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53565844
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 72141682
N,N-Dimethyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015226
2-[Ethyl-[4-(1,2,4-triazol-1-yl)pyrimidin-2-yl]amino]ethanol
CID 172458893
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrimidin-2-amine
CID 72904896
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-morpholino-6-methylpyrimidine
CID 11335968
1,1,1-Trifluoropropan-2-yl 2-[[4-(4-bromopyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate
CID 23545969

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine (CID 142164721) is N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine is C=C(CN(C)c1nccc(-n2cccn2)n1)OCCC(F)(F)F.
What is the InChIKey of N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine?
The InChIKey is SBSLMWRDGKAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-11(23-9-5-14(15,16)17)10-21(2)13-18-7-4-12(20-13)22-8-3-6-19-22/h3-4,6-8H,1,5,9-10H2,2H3.
What are the key properties of N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine?
N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine is sourced from PubChem (CID 142164721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).