1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one

C14H23N5O — CID 56702941

IUPAC1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
SMILESCCCNc1ncc(CN2CCN(C)C(=O)C2C)cn1
InChIInChI=1S/C14H23N5O/c1-4-5-15-14-16-8-12(9-17-14)10-19-7-6-18(3)13(20)11(19)2/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)
InChIKeyYQVYCAPYFYNCKO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds5

About 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one

1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one (PubChem CID 56702941) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
PubChem CID56702941
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
SMILESCCCNc1ncc(CN2CCN(C)C(=O)C2C)cn1
InChIInChI=1S/C14H23N5O/c1-4-5-15-14-16-8-12(9-17-14)10-19-7-6-18(3)13(20)11(19)2/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)
InChIKeyYQVYCAPYFYNCKO-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one (CID 56702941) is 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one is CCCNc1ncc(CN2CCN(C)C(=O)C2C)cn1.
What is the InChIKey of 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one?
The InChIKey is YQVYCAPYFYNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-5-15-14-16-8-12(9-17-14)10-19-7-6-18(3)13(20)11(19)2/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17).
What are the key properties of 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one?
1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 56702941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).