6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C9H16N6 — CID 753256

IUPAC6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
InChIKeyRBHNSRTVBDSNLG-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.61
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 753256) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID753256
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
InChIKeyRBHNSRTVBDSNLG-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 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 753256) is 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is RBHNSRTVBDSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13).
What are the key properties of 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
6-(4-methylpiperazin-1-yl)pyrimidine-2,4-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 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 753256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).