(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol

C12H20N4O2 — CID 133486239

IUPAC(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccnc(N2CCN(C[C@@H](C)O)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-10(17)9-15-5-7-16(8-6-15)12-13-4-3-11(14-12)18-2/h3-4,10,17H,5-9H2,1-2H3/t10-/m1/s1
InChIKeyBZWXLTSPCBBEQG-SNVBAGLBSA-N
MW252.32 g/mol
LogP-0.01
Rot. Bonds4

About (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486239) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486239
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccnc(N2CCN(C[C@@H](C)O)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-10(17)9-15-5-7-16(8-6-15)12-13-4-3-11(14-12)18-2/h3-4,10,17H,5-9H2,1-2H3/t10-/m1/s1
InChIKeyBZWXLTSPCBBEQG-SNVBAGLBSA-N
XLogP-0.01
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
CID 95049270
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 60550304
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
(2R)-1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 95289879
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol (CID 133486239) is (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol is COc1ccnc(N2CCN(C[C@@H](C)O)CC2)n1.
What is the InChIKey of (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is BZWXLTSPCBBEQG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(17)9-15-5-7-16(8-6-15)12-13-4-3-11(14-12)18-2/h3-4,10,17H,5-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 252.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).