1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C18H30N6O2 — CID 3363098

IUPAC1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCN(C)c1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H30N6O2/c1-18(2,3)16(26)24-10-8-23(9-11-24)15(25)13-12-14(21(4)5)20-17(19-13)22(6)7/h12H,8-11H2,1-7H3
InChIKeyULHURRVCJKMXIV-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.94
Rot. Bonds3

About 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 3363098) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID3363098
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCN(C)c1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H30N6O2/c1-18(2,3)16(26)24-10-8-23(9-11-24)15(25)13-12-14(21(4)5)20-17(19-13)22(6)7/h12H,8-11H2,1-7H3
InChIKeyULHURRVCJKMXIV-UHFFFAOYSA-N
XLogP0.94
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 3363098) is 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CN(C)c1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)nc(N(C)C)n1.
What is the InChIKey of 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ULHURRVCJKMXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-18(2,3)16(26)24-10-8-23(9-11-24)15(25)13-12-14(21(4)5)20-17(19-13)22(6)7/h12H,8-11H2,1-7H3.
What are the key properties of 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 362.48 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 3363098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).