N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C14H16F3N5 — CID 56876062

IUPACN-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCC(Cc1cnccn1)Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H16F3N5/c1-10(8-12-9-18-6-7-19-12)21-13-20-5-3-11(22-13)2-4-14(15,16)17/h3,5-7,9-10H,2,4,8H2,1H3,(H,20,21,22)
InChIKeyAAFZJOAXSGGNDY-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.80
Rot. Bonds6

About N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56876062) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56876062
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC NameN-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCC(Cc1cnccn1)Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H16F3N5/c1-10(8-12-9-18-6-7-19-12)21-13-20-5-3-11(22-13)2-4-14(15,16)17/h3,5-7,9-10H,2,4,8H2,1H3,(H,20,21,22)
InChIKeyAAFZJOAXSGGNDY-UHFFFAOYSA-N
XLogP2.80
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475719
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681476
5-[[4-(3-Aminobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 149934448
5-[[4-[3-(Methylamino)butylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 151995258
N-methyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475711
N-allyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 3797864
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
5-[[4-[3-(Propan-2-ylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 151391115
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466270
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817569
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817589

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56876062) is N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CC(Cc1cnccn1)Nc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is AAFZJOAXSGGNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-10(8-12-9-18-6-7-19-12)21-13-20-5-3-11(22-13)2-4-14(15,16)17/h3,5-7,9-10H,2,4,8H2,1H3,(H,20,21,22).
What are the key properties of N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 311.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazin-2-ylpropan-2-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56876062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).