[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C17H25N7O2 — CID 122351707

IUPAC[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCCNc1cc(N2CCN(C(=O)c3cn(C)nc3OC)CC2)nc(C)n1
InChIInChI=1S/C17H25N7O2/c1-5-18-14-10-15(20-12(2)19-14)23-6-8-24(9-7-23)17(25)13-11-22(3)21-16(13)26-4/h10-11H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyUCXFUBMVOMEKKT-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.92
Rot. Bonds5

About [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 122351707) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID122351707
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCCNc1cc(N2CCN(C(=O)c3cn(C)nc3OC)CC2)nc(C)n1
InChIInChI=1S/C17H25N7O2/c1-5-18-14-10-15(20-12(2)19-14)23-6-8-24(9-7-23)17(25)13-11-22(3)21-16(13)26-4/h10-11H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyUCXFUBMVOMEKKT-UHFFFAOYSA-N
XLogP0.92
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350346
(3-methoxy-1-methylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339747
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122351757
cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 56699266
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122346612
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122351720
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122351747
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251

Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 122351707) is [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is CCNc1cc(N2CCN(C(=O)c3cn(C)nc3OC)CC2)nc(C)n1.
What is the InChIKey of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is UCXFUBMVOMEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-5-18-14-10-15(20-12(2)19-14)23-6-8-24(9-7-23)17(25)13-11-22(3)21-16(13)26-4/h10-11H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 122351707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).