N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide

C14H23N5O — CID 71807300

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H23N5O/c1-5-12(20)17-13-10(2)15-14(16-11(13)3)19-8-6-18(4)7-9-19/h5-9H2,1-4H3,(H,17,20)
InChIKeyWTOGAHJDWYOBSG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds3

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 71807300) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide
PubChem CID71807300
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H23N5O/c1-5-12(20)17-13-10(2)15-14(16-11(13)3)19-8-6-18(4)7-9-19/h5-9H2,1-4H3,(H,17,20)
InChIKeyWTOGAHJDWYOBSG-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide (CID 71807300) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide is CCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is WTOGAHJDWYOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-12(20)17-13-10(2)15-14(16-11(13)3)19-8-6-18(4)7-9-19/h5-9H2,1-4H3,(H,17,20).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 71807300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).