4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile

C22H25FN6O — CID 18753208

IUPAC4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCC2CC2)nc(NCCO)nc1N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6O/c23-18-5-3-16(4-6-18)17-7-10-29(11-8-17)21-19(13-24)20(26-14-15-1-2-15)27-22(28-21)25-9-12-30/h3-7,15,30H,1-2,8-12,14H2,(H2,25,26,27,28)
InChIKeyUEZWSGFFKYPCMK-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.01
Rot. Bonds8

About 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile

4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (PubChem CID 18753208) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
PubChem CID18753208
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCC2CC2)nc(NCCO)nc1N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6O/c23-18-5-3-16(4-6-18)17-7-10-29(11-8-17)21-19(13-24)20(26-14-15-1-2-15)27-22(28-21)25-9-12-30/h3-7,15,30H,1-2,8-12,14H2,(H2,25,26,27,28)
InChIKeyUEZWSGFFKYPCMK-UHFFFAOYSA-N
XLogP3.01
TPSA97.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (CID 18753208) is 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is N#Cc1c(NCC2CC2)nc(NCCO)nc1N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The InChIKey is UEZWSGFFKYPCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c23-18-5-3-16(4-6-18)17-7-10-29(11-8-17)21-19(13-24)20(26-14-15-1-2-15)27-22(28-21)25-9-12-30/h3-7,15,30H,1-2,8-12,14H2,(H2,25,26,27,28).
What are the key properties of 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile has a molecular weight of 408.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18753208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).