4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile

C19H20F3N5O — CID 153009999

IUPAC4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1C1CCCC(N)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)11-5-7-15(28)13(8-11)18-26-16(14(9-23)17(25)27-18)10-2-1-3-12(24)6-4-10/h5,7-8,10,12,28H,1-4,6,24H2,(H2,25,26,27)
InChIKeyUZWDDASLILXVHH-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.70
Rot. Bonds2

About 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile

4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 153009999) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID153009999
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1C1CCCC(N)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)11-5-7-15(28)13(8-11)18-26-16(14(9-23)17(25)27-18)10-2-1-3-12(24)6-4-10/h5,7-8,10,12,28H,1-4,6,24H2,(H2,25,26,27)
InChIKeyUZWDDASLILXVHH-UHFFFAOYSA-N
XLogP3.70
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-Pyrimidinecarbonitrile, 4-amino-2-(2,5-dihydroxyphenyl)-6-(3-piperidinyl)-
CID 135427928
(6Z)-6-[4-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 659579
2-(4-(Cyclohexylamino)-6-methylpyrimidin-2-yl)phenol
CID 921204
2-Amino-4-(1-amino-2-methyl-propyl)-6-(2-hydroxy-phenyl)-nicotinonitrile
CID 135584952
2-Amino-4-(1-amino-pentyl)-6-(2-hydroxy-phenyl)-nicotinonitrile
CID 135584956
4-[2-Ethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]phenol
CID 137299198
2-(4-((2-Aminoethyl)amino)-6-methylpyrimidin-2-yl)phenol
CID 1925132
4-Methyl-2-(2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl)phenol
CID 2880523
4-Piperidino-6-trifluoromethyl-2-(2-hydroxyphenyl)pyrimidine
CID 629598
4-[3-[4-[3-[[3-Aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]propyl]-2-fluorophenol
CID 58199874
4-[2-[[2-Amino-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]phenol
CID 118063172
4-Amino-2-[2-hydroxy-4-(trifluoromethyl)phenyl]-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 135468047

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile (CID 153009999) is 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1C1CCCC(N)CC1.
What is the InChIKey of 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is UZWDDASLILXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)11-5-7-15(28)13(8-11)18-26-16(14(9-23)17(25)27-18)10-2-1-3-12(24)6-4-10/h5,7-8,10,12,28H,1-4,6,24H2,(H2,25,26,27).
What are the key properties of 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 391.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 153009999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).