[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone

C19H22N4O2 — CID 95145272

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C19H22N4O2/c1-25-17-7-8-20-19(21-17)23-11-9-22(10-12-23)18(24)16-13-15(16)14-5-3-2-4-6-14/h2-8,15-16H,9-13H2,1H3/t15-,16-/m0/s1
InChIKeyOPYWTNDXPYRGMY-HOTGVXAUSA-N
MW338.41 g/mol
LogP1.94
Rot. Bonds4

About [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone (PubChem CID 95145272) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
PubChem CID95145272
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C19H22N4O2/c1-25-17-7-8-20-19(21-17)23-11-9-22(10-12-23)18(24)16-13-15(16)14-5-3-2-4-6-14/h2-8,15-16H,9-13H2,1H3/t15-,16-/m0/s1
InChIKeyOPYWTNDXPYRGMY-HOTGVXAUSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590798
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 56821659
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
2,3-dihydro-1-benzofuran-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56799030
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
2,5-dihydro-1H-pyrrol-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154910700
cyclohex-3-en-1-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56814584
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126791623
[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 99806782
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 95579755

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone (CID 95145272) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone is COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The InChIKey is OPYWTNDXPYRGMY-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-17-7-8-20-19(21-17)23-11-9-22(10-12-23)18(24)16-13-15(16)14-5-3-2-4-6-14/h2-8,15-16H,9-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone has a molecular weight of 338.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 95145272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).