[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

C15H25N5O2 — CID 72900903

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cnc(NC(C)C)nc2)CC1
InChIInChI=1S/C15H25N5O2/c1-12(2)18-15-16-10-13(11-17-15)14(21)20-6-4-19(5-7-20)8-9-22-3/h10-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyHQTSVTLCXQPETA-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.70
Rot. Bonds6

About [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone (PubChem CID 72900903) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
PubChem CID72900903
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cnc(NC(C)C)nc2)CC1
InChIInChI=1S/C15H25N5O2/c1-12(2)18-15-16-10-13(11-17-15)14(21)20-6-4-19(5-7-20)8-9-22-3/h10-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyHQTSVTLCXQPETA-UHFFFAOYSA-N
XLogP0.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 109247128
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
(2-fluoro-4-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 61292545
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 109247135
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 74240927
5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine
CID 172587797
[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 72938893
(4-methylpiperazin-1-yl)-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109253173
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 142706032

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone (CID 72900903) is [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone is COCCN1CCN(C(=O)c2cnc(NC(C)C)nc2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The InChIKey is HQTSVTLCXQPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(2)18-15-16-10-13(11-17-15)14(21)20-6-4-19(5-7-20)8-9-22-3/h10-12H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 72900903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).