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

C11H20N6 — CID 25130911

IUPAC4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N(C)C)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-15(2)9-8-10(14-11(12)13-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyXDZWHHLMPCEUIV-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.12
Rot. Bonds2

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

4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 25130911) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID25130911
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N(C)C)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-15(2)9-8-10(14-11(12)13-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyXDZWHHLMPCEUIV-UHFFFAOYSA-N
XLogP-0.12
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 25130911) is 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2cc(N(C)C)nc(N)n2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is XDZWHHLMPCEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-15(2)9-8-10(14-11(12)13-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25130911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).