4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide

C18H18Cl2N4O2 — CID 89256017

IUPAC4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide
SMILESCCCn1ccc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21
InChIInChI=1S/C18H18Cl2N4O2/c1-2-6-23-7-5-12-10-13(3-4-14(12)23)24(8-9-25)18(26)15-16(19)21-11-22-17(15)20/h3-5,7,10-11,25H,2,6,8-9H2,1H3
InChIKeyFDYUSWKCJNSOMI-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.79
Rot. Bonds6

About 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide

4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide (PubChem CID 89256017) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide
PubChem CID89256017
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide
SMILESCCCn1ccc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21
InChIInChI=1S/C18H18Cl2N4O2/c1-2-6-23-7-5-12-10-13(3-4-14(12)23)24(8-9-25)18(26)15-16(19)21-11-22-17(15)20/h3-5,7,10-11,25H,2,6,8-9H2,1H3
InChIKeyFDYUSWKCJNSOMI-UHFFFAOYSA-N
XLogP3.79
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72932550
N-[2-(2-methylindol-1-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 90680585
2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
CID 90680604
US9738658, Example 13
CID 86719989
US9738658, Example 22
CID 86720008
1-[3-[2-(2-Morpholin-4-ylpyrimidin-4-yl)ethyl]indol-1-yl]ethanone
CID 168281338
N-[3-(dimethylamino)propyl]-4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]pyrimidine-5-carboxamide
CID 162624209
4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(4-hydroxybutyl)pyrimidine-5-carboxamide
CID 162624263
4,6-dichloro-N-(2-hydroxyethyl)-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide
CID 86712613
4,6-dichloro-N-[1-(2,2-difluoroethyl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 89256049
4,6-dichloro-N-(6-fluoro-1-phenylindol-5-yl)-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 89256086
4,6-dichloro-N-(2-hydroxyethyl)-N-[1-[6-(trifluoromethyl)pyridin-3-yl]indol-5-yl]pyrimidine-5-carboxamide
CID 89256093

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide (CID 89256017) is 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide is CCCn1ccc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21.
What is the InChIKey of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is FDYUSWKCJNSOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-2-6-23-7-5-12-10-13(3-4-14(12)23)24(8-9-25)18(26)15-16(19)21-11-22-17(15)20/h3-5,7,10-11,25H,2,6,8-9H2,1H3.
What are the key properties of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide?
4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-propylindol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 89256017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).