2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile

C20H24FN7O — CID 10294220

IUPAC2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCCO)nc(NC2CC2)nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN7O/c21-14-1-5-16(6-2-14)27-8-10-28(11-9-27)19-17(13-22)18(23-7-12-29)25-20(26-19)24-15-3-4-15/h1-2,5-6,15,29H,3-4,7-12H2,(H2,23,24,25,26)
InChIKeyXPCJOWNVLUTJEY-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.79
Rot. Bonds7

About 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile

2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (PubChem CID 10294220) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
PubChem CID10294220
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCCO)nc(NC2CC2)nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN7O/c21-14-1-5-16(6-2-14)27-8-10-28(11-9-27)19-17(13-22)18(23-7-12-29)25-20(26-19)24-15-3-4-15/h1-2,5-6,15,29H,3-4,7-12H2,(H2,23,24,25,26)
InChIKeyXPCJOWNVLUTJEY-UHFFFAOYSA-N
XLogP1.79
TPSA100.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-hydroxyethylamino)-9-isopropylpurine core C6-substituents, 65
CID 51049527
5-[[4-[3-(2-Hydroxyethylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 149900510
5-Amino-4-morpholino-6-(phenylamino)pyrimidine-2-carbonitrile
CID 44565776
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
CID 162368315
2-[4-[2-(4-fluorophenyl)ethyl]morpholin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 110113790
2-[4-[6-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 4382074
2-[4-[6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 5091019
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,6-dimethylpyrimidin-2-amine
CID 47021426
(3R*,4R*)-1-(6-amino-4-pyrimidinyl)-4-[4-(2-fluorophenyl)-1-piperazinyl]-3-piperidinol
CID 56866630
6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 117094602
4-({3-[4-(4-Fluorophenyl)piperazin-1-YL]propyl}amino)-6-(morpholin-4-YL)pyrimidine-5-carbonitrile
CID 132337207
2-[[2-(3,4-Difluoroanilino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 134158275

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (CID 10294220) is 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is N#Cc1c(NCCO)nc(NC2CC2)nc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The InChIKey is XPCJOWNVLUTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c21-14-1-5-16(6-2-14)27-8-10-28(11-9-27)19-17(13-22)18(23-7-12-29)25-20(26-19)24-15-3-4-15/h1-2,5-6,15,29H,3-4,7-12H2,(H2,23,24,25,26).
What are the key properties of 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile has a molecular weight of 397.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 10294220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).