1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea

C22H29N5O2 — CID 126785973

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1cccc2c1CCC2NC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C22H29N5O2/c1-14-13-21(24-15(2)23-14)27-11-9-16(10-12-27)25-22(28)26-19-8-7-18-17(19)5-4-6-20(18)29-3/h4-6,13,16,19H,7-12H2,1-3H3,(H2,25,26,28)
InChIKeyKTOWJNYJDPYONI-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.06
Rot. Bonds4

About 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 126785973) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID126785973
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1cccc2c1CCC2NC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C22H29N5O2/c1-14-13-21(24-15(2)23-14)27-11-9-16(10-12-27)25-22(28)26-19-8-7-18-17(19)5-4-6-20(18)29-3/h4-6,13,16,19H,7-12H2,1-3H3,(H2,25,26,28)
InChIKeyKTOWJNYJDPYONI-UHFFFAOYSA-N
XLogP3.06
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 71977381
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
CID 120638469

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea (CID 126785973) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea is COc1cccc2c1CCC2NC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is KTOWJNYJDPYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-13-21(24-15(2)23-14)27-11-9-16(10-12-27)25-22(28)26-19-8-7-18-17(19)5-4-6-20(18)29-3/h4-6,13,16,19H,7-12H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 395.51 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 126785973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).