6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

C11H21N7 — CID 80927990

IUPAC6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(N(C)c2cc(NN)nc(N)n2)CC1
InChIInChI=1S/C11H21N7/c1-17-5-3-8(4-6-17)18(2)10-7-9(16-13)14-11(12)15-10/h7-8H,3-6,13H2,1-2H3,(H3,12,14,15,16)
InChIKeyKLBSDUAZBHHKBZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP-0.13
Rot. Bonds3

About 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 80927990) has the molecular formula C11H21N7 and a molecular weight of 251.34 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID80927990
Molecular FormulaC11H21N7
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(N(C)c2cc(NN)nc(N)n2)CC1
InChIInChI=1S/C11H21N7/c1-17-5-3-8(4-6-17)18(2)10-7-9(16-13)14-11(12)15-10/h7-8H,3-6,13H2,1-2H3,(H3,12,14,15,16)
InChIKeyKLBSDUAZBHHKBZ-UHFFFAOYSA-N
XLogP-0.13
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
N-cyclopropyl-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80940513
N-cyclopentyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968637
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968908
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80799744
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80964070
4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
CID 80780371

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 80927990) is 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is CN1CCC(N(C)c2cc(NN)nc(N)n2)CC1.
What is the InChIKey of 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is KLBSDUAZBHHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7/c1-17-5-3-8(4-6-17)18(2)10-7-9(16-13)14-11(12)15-10/h7-8H,3-6,13H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 251.34 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80927990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).