(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone

C16H27N5O — CID 109361944

IUPAC(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(NCC(C)C)nc(C)n2)CC1
InChIInChI=1S/C16H27N5O/c1-5-20-6-8-21(9-7-20)16(22)14-10-15(17-11-12(2)3)19-13(4)18-14/h10,12H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyCBDOZJJYQBNLGP-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.63
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone (PubChem CID 109361944) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
PubChem CID109361944
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(NCC(C)C)nc(C)n2)CC1
InChIInChI=1S/C16H27N5O/c1-5-20-6-8-21(9-7-20)16(22)14-10-15(17-11-12(2)3)19-13(4)18-14/h10,12H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyCBDOZJJYQBNLGP-UHFFFAOYSA-N
XLogP1.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109361943
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
[6-[3-(dimethylamino)propylamino]-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109366557
(4-ethylpiperazin-1-yl)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367377
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367363
(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109326189
[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367417
[6-[(1,1-dioxothiolan-3-yl)amino]-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367326

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone (CID 109361944) is (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(NCC(C)C)nc(C)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The InChIKey is CBDOZJJYQBNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-5-20-6-8-21(9-7-20)16(22)14-10-15(17-11-12(2)3)19-13(4)18-14/h10,12H,5-9,11H2,1-4H3,(H,17,18,19).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone has a molecular weight of 305.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109361944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).