(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone

C20H27N5O — CID 18566483

IUPAC(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCNc1cc(C)nc(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-5-21-18-13-16(4)22-20(23-18)25-8-6-24(7-9-25)19(26)17-11-14(2)10-15(3)12-17/h10-13H,5-9H2,1-4H3,(H,21,22,23)
InChIKeyWYECGAAQEZMGGQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.80
Rot. Bonds4

About (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone

(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 18566483) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID18566483
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCNc1cc(C)nc(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-5-21-18-13-16(4)22-20(23-18)25-8-6-24(7-9-25)19(26)17-11-14(2)10-15(3)12-17/h10-13H,5-9H2,1-4H3,(H,21,22,23)
InChIKeyWYECGAAQEZMGGQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dinitrophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031744
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
(3-bromophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566462
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122346193
(5-bromo-3-pyridinyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346104
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122346184
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122346166
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18566518
3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 121031730
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
(2-chloro-4-nitrophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031743

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone (CID 18566483) is (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone is CCNc1cc(C)nc(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)n1.
What is the InChIKey of (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is WYECGAAQEZMGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-5-21-18-13-16(4)22-20(23-18)25-8-6-24(7-9-25)19(26)17-11-14(2)10-15(3)12-17/h10-13H,5-9H2,1-4H3,(H,21,22,23).
What are the key properties of (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 18566483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).