2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine

C10H17N5 — CID 63609084

IUPAC2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
SMILESCC1CN(c2ncc(N)cn2)CCN1C
InChIInChI=1S/C10H17N5/c1-8-7-15(4-3-14(8)2)10-12-5-9(11)6-13-10/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyMCMMQXHSEGBIII-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.20
Rot. Bonds1

About 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine

2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 63609084) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID63609084
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
SMILESCC1CN(c2ncc(N)cn2)CCN1C
InChIInChI=1S/C10H17N5/c1-8-7-15(4-3-14(8)2)10-12-5-9(11)6-13-10/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyMCMMQXHSEGBIII-UHFFFAOYSA-N
XLogP0.20
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine (CID 63609084) is 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine is CC1CN(c2ncc(N)cn2)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is MCMMQXHSEGBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-8-7-15(4-3-14(8)2)10-12-5-9(11)6-13-10/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine?
2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 207.28 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 63609084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).