N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C16H18F3N5 — CID 50953733

IUPACN-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC(Cc1cnccn1)Nc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C16H18F3N5/c1-10(8-11-9-20-6-7-21-11)22-15-23-13-5-3-2-4-12(13)14(24-15)16(17,18)19/h6-7,9-10H,2-5,8H2,1H3,(H,22,23,24)
InChIKeyOPGFBKWABAHINP-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.21
Rot. Bonds4

About N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 50953733) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID50953733
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC NameN-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC(Cc1cnccn1)Nc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C16H18F3N5/c1-10(8-11-9-20-6-7-21-11)22-15-23-13-5-3-2-4-12(13)14(24-15)16(17,18)19/h6-7,9-10H,2-5,8H2,1H3,(H,22,23,24)
InChIKeyOPGFBKWABAHINP-UHFFFAOYSA-N
XLogP3.21
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234286
4,6-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)pyrimidin-2-amine
CID 50967182
4-methyl-6-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 97514966
2-methyl-6-(1-propan-2-ylpiperidin-3-yl)-N-pyrazin-2-ylpyrimidin-4-amine
CID 110255577
N-[1-(3-methylpyridin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863677
2-(3-Phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56873918
N-(1-methyl-2-pyrazin-2-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56876062
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877579
N~4~-[(1-isobutyl-1H-imidazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72862406
6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 117090719
N~2~,N~2~-dimethyl-N~4~-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 134706682
4-N-[(3S,4R)-1-methyl-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 137971034

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 50953733) is N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is CC(Cc1cnccn1)Nc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is OPGFBKWABAHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-10(8-11-9-20-6-7-21-11)22-15-23-13-5-3-2-4-12(13)14(24-15)16(17,18)19/h6-7,9-10H,2-5,8H2,1H3,(H,22,23,24).
What are the key properties of N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-(1-pyrazin-2-ylpropan-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 337.35 g/mol, XLogP of 3.21, 4 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-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 50953733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).