(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone

C17H18ClN3O2 — CID 146131567

IUPAC(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CC(CO)c3ccccc32)n1
InChIInChI=1S/C17H18ClN3O2/c1-10(2)16-19-7-13(18)15(20-16)17(23)21-8-11(9-22)12-5-3-4-6-14(12)21/h3-7,10-11,22H,8-9H2,1-2H3
InChIKeyDTJMVZJDLMNGBV-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.99
Rot. Bonds3

About (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 146131567) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID146131567
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CC(CO)c3ccccc32)n1
InChIInChI=1S/C17H18ClN3O2/c1-10(2)16-19-7-13(18)15(20-16)17(23)21-8-11(9-22)12-5-3-4-6-14(12)21/h3-7,10-11,22H,8-9H2,1-2H3
InChIKeyDTJMVZJDLMNGBV-UHFFFAOYSA-N
XLogP2.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
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(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 55032845
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 47459227
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
CID 62088855
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 56821641
(2S,4S)-1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714564
(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
CID 128535298
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone;hydrochloride
CID 119592986
5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119386084
(5-chloro-2-methylpyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone (CID 146131567) is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone is CC(C)c1ncc(Cl)c(C(=O)N2CC(CO)c3ccccc32)n1.
What is the InChIKey of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is DTJMVZJDLMNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-10(2)16-19-7-13(18)15(20-16)17(23)21-8-11(9-22)12-5-3-4-6-14(12)21/h3-7,10-11,22H,8-9H2,1-2H3.
What are the key properties of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 331.80 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 146131567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).