4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide

C14H13Cl2N3O2 — CID 88898490

IUPAC4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(N(CCO)C(=O)c2c(Cl)ncnc2Cl)cc1
InChIInChI=1S/C14H13Cl2N3O2/c1-9-2-4-10(5-3-9)19(6-7-20)14(21)11-12(15)17-8-18-13(11)16/h2-5,8,20H,6-7H2,1H3
InChIKeyYQPAYEYIUTXENU-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.73
Rot. Bonds4

About 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide

4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 88898490) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID88898490
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(N(CCO)C(=O)c2c(Cl)ncnc2Cl)cc1
InChIInChI=1S/C14H13Cl2N3O2/c1-9-2-4-10(5-3-9)19(6-7-20)14(21)11-12(15)17-8-18-13(11)16/h2-5,8,20H,6-7H2,1H3
InChIKeyYQPAYEYIUTXENU-UHFFFAOYSA-N
XLogP2.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(2-(tert-butyldimethylsilyloxy)propyl)-4,6-dichloro-N-(2',6'-difluorobiphenyl-4-yl)pyrimidine-5-carboxamide
CID 58464422
(R)-4,6-Dichloro-N-(2',6'-difluorobiphenyl-4-yl)-N-(2-hydroxypropyl)pyrimidine-5-carboxamide
CID 58464443
N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dichloro-N-[4-(2,6-difluorophenyl)phenyl]pyrimidine-5-carboxamide
CID 76794234
4,6-dichloro-N-[4-(2,6-difluorophenyl)phenyl]-N-(2-hydroxypropyl)pyrimidine-5-carboxamide
CID 76794240
N-(4-bromo-3-fluorophenyl)-4,6-dichloro-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 117923328
4,6-dichloro-N-(2-hydroxyethyl)-N-[(5Z)-5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide
CID 117923357
4,6-dichloro-N-(2-hydroxyethyl)-N-[6-(2,2,2-trifluoroethoxy)-7,8-dihydronaphthalen-2-yl]pyrimidine-5-carboxamide
CID 117923444
4,6-dichloro-N-(2-hydroxyethyl)-N-[5-(2,2,2-trifluoroethoxyimino)-7,8-dihydro-6H-naphthalen-2-yl]pyrimidine-5-carboxamide
CID 123651502
N-[4-[benzyl(2-hydroxyethyl)amino]-6-chloropyrimidin-5-yl]-N-methylprop-2-enamide
CID 135026269
4-Chloro-6-(2-fluoro-4-methylanilino)pyrimidine-5-carbaldehyde
CID 66366311
4-Chloro-6-(3-fluoro-4-methylanilino)pyrimidine-5-carbaldehyde
CID 66369186
4,6-dichloro-N-[4-(2,6-difluorophenyl)phenyl]-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-5-carboxamide
CID 144257651

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide (CID 88898490) is 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide is Cc1ccc(N(CCO)C(=O)c2c(Cl)ncnc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is YQPAYEYIUTXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-9-2-4-10(5-3-9)19(6-7-20)14(21)11-12(15)17-8-18-13(11)16/h2-5,8,20H,6-7H2,1H3.
What are the key properties of 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-hydroxyethyl)-N-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 88898490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).