3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one

C15H25N5O — CID 80657652

IUPAC3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one
SMILESCCCNc1cc(C)nc(CN2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C15H25N5O/c1-5-6-16-12-9-11(2)18-13(19-12)10-20-8-7-17-14(21)15(20,3)4/h9H,5-8,10H2,1-4H3,(H,17,21)(H,16,18,19)
InChIKeyTYWRNUXBVDMCSI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds5

About 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one

3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one (PubChem CID 80657652) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one
PubChem CID80657652
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one
SMILESCCCNc1cc(C)nc(CN2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C15H25N5O/c1-5-6-16-12-9-11(2)18-13(19-12)10-20-8-7-17-14(21)15(20,3)4/h9H,5-8,10H2,1-4H3,(H,17,21)(H,16,18,19)
InChIKeyTYWRNUXBVDMCSI-UHFFFAOYSA-N
XLogP1.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylpiperazin-2-one
CID 80657377
2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657178
3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one
CID 80834705
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 80655042
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 80657743
4-[(3,6-dichloro-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63595115
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657269

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one (CID 80657652) is 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one is CCCNc1cc(C)nc(CN2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one?
The InChIKey is TYWRNUXBVDMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-6-16-12-9-11(2)18-13(19-12)10-20-8-7-17-14(21)15(20,3)4/h9H,5-8,10H2,1-4H3,(H,17,21)(H,16,18,19).
What are the key properties of 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one?
3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 80657652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).