[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone

C17H22N6O — CID 122351016

IUPAC[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-3-19-17-20-13(2)12-15(21-17)22-8-10-23(11-9-22)16(24)14-4-6-18-7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyNXJQUNJKZAMTPF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.57
Rot. Bonds4

About [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 122351016) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID122351016
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H22N6O/c1-3-19-17-20-13(2)12-15(21-17)22-8-10-23(11-9-22)16(24)14-4-6-18-7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyNXJQUNJKZAMTPF-UHFFFAOYSA-N
XLogP1.57
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348327
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122351151
(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702485
ethyl 4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112919896
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 70702726
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122351043
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122351057
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 56699978
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122351131
N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50946417

Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 122351016) is [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone is CCNc1nc(C)cc(N2CCN(C(=O)c3ccncc3)CC2)n1.
What is the InChIKey of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is NXJQUNJKZAMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-19-17-20-13(2)12-15(21-17)22-8-10-23(11-9-22)16(24)14-4-6-18-7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 122351016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).