4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide

C16H27N7O2 — CID 4078865

IUPAC4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(N(C)C)nc(N(C)C)n2)CC1
InChIInChI=1S/C16H27N7O2/c1-6-17-16(25)23-9-7-22(8-10-23)14(24)12-11-13(20(2)3)19-15(18-12)21(4)5/h11H,6-10H2,1-5H3,(H,17,25)
InChIKeyOSDLKJRBNBIMQX-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.10
Rot. Bonds4

About 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide

4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 4078865) has the molecular formula C16H27N7O2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide
PubChem CID4078865
Molecular FormulaC16H27N7O2
Molecular Weight349.44 g/mol
Exact Mass349.22
IUPAC Name4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(N(C)C)nc(N(C)C)n2)CC1
InChIInChI=1S/C16H27N7O2/c1-6-17-16(25)23-9-7-22(8-10-23)14(24)12-11-13(20(2)3)19-15(18-12)21(4)5/h11H,6-10H2,1-5H3,(H,17,25)
InChIKeyOSDLKJRBNBIMQX-UHFFFAOYSA-N
XLogP0.10
TPSA84.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide (CID 4078865) is 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cc(N(C)C)nc(N(C)C)n2)CC1.
What is the InChIKey of 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is OSDLKJRBNBIMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O2/c1-6-17-16(25)23-9-7-22(8-10-23)14(24)12-11-13(20(2)3)19-15(18-12)21(4)5/h11H,6-10H2,1-5H3,(H,17,25).
What are the key properties of 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 4078865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).