4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine

C9H16N6 — CID 25130909

IUPAC4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine
SMILESCN1CCN(c2nc(N)ncc2N)CC1
InChIInChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-7(10)6-12-9(11)13-8/h6H,2-5,10H2,1H3,(H2,11,12,13)
InChIKeyKFRYEDDESLZUQI-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.61
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine

4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine (PubChem CID 25130909) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine
PubChem CID25130909
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine
SMILESCN1CCN(c2nc(N)ncc2N)CC1
InChIInChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-7(10)6-12-9(11)13-8/h6H,2-5,10H2,1H3,(H2,11,12,13)
InChIKeyKFRYEDDESLZUQI-UHFFFAOYSA-N
XLogP-0.61
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine (CID 25130909) is 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine is CN1CCN(c2nc(N)ncc2N)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine?
The InChIKey is KFRYEDDESLZUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-7(10)6-12-9(11)13-8/h6H,2-5,10H2,1H3,(H2,11,12,13).
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine?
4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine has a molecular weight of 208.27 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 25130909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).