1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C17H21N5O3 — CID 136580568

IUPAC1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1ncnc(N(C)C)c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H21N5O3/c1-22(2)15-14(16(25-3)19-9-18-15)21-17(24)20-13-11-7-5-4-6-10(11)8-12(13)23/h4-7,9,12-13,23H,8H2,1-3H3,(H2,20,21,24)/t12-,13+/m0/s1
InChIKeyKZOLHZRPRBQKDG-QWHCGFSZSA-N
MW343.39 g/mol
LogP1.33
Rot. Bonds4

About 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 136580568) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID136580568
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOc1ncnc(N(C)C)c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C17H21N5O3/c1-22(2)15-14(16(25-3)19-9-18-15)21-17(24)20-13-11-7-5-4-6-10(11)8-12(13)23/h4-7,9,12-13,23H,8H2,1-3H3,(H2,20,21,24)/t12-,13+/m0/s1
InChIKeyKZOLHZRPRBQKDG-QWHCGFSZSA-N
XLogP1.33
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907994
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365419
1-(4-bromo-2,6-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 52860459
3-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 136578177
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97064386
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-(3-chloro-2-methyl-4-pyridinyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 91649382
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 136580568) is 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is COc1ncnc(N(C)C)c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is KZOLHZRPRBQKDG-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-22(2)15-14(16(25-3)19-9-18-15)21-17(24)20-13-11-7-5-4-6-10(11)8-12(13)23/h4-7,9,12-13,23H,8H2,1-3H3,(H2,20,21,24)/t12-,13+/m0/s1.
What are the key properties of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 343.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 136580568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).