6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine

C18H32Cl3N13 — CID 159006003

IUPAC6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine
SMILESCN(C)c1cc(Cl)ncn1.CN(C)c1cc(NN)ncn1.CNC.Clc1cc(Cl)ncn1.NN
InChIInChI=1S/C6H8ClN3.C6H11N5.C4H2Cl2N2.C2H7N.H4N2/c1-10(2)6-3-5(7)8-4-9-6;1-11(2)6-3-5(10-7)8-4-9-6;5-3-1-4(6)8-2-7-3;1-3-2;1-2/h3-4H,1-2H3;3-4H,7H2,1-2H3,(H,8,9,10);1-2H;3H,1-2H3;1-2H2
InChIKeyJRXUTYBYDCBFFI-UHFFFAOYSA-N
MW536.90 g/mol
LogP1.46
Rot. Bonds3

About 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine

6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine (PubChem CID 159006003) has the molecular formula C18H32Cl3N13 and a molecular weight of 536.90 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine.

Molecular Properties

Compound Name6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine
PubChem CID159006003
Molecular FormulaC18H32Cl3N13
Molecular Weight536.90 g/mol
Exact Mass535.20
IUPAC Name6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine
SMILESCN(C)c1cc(Cl)ncn1.CN(C)c1cc(NN)ncn1.CNC.Clc1cc(Cl)ncn1.NN
InChIInChI=1S/C6H8ClN3.C6H11N5.C4H2Cl2N2.C2H7N.H4N2/c1-10(2)6-3-5(7)8-4-9-6;1-11(2)6-3-5(10-7)8-4-9-6;5-3-1-4(6)8-2-7-3;1-3-2;1-2/h3-4H,1-2H3;3-4H,7H2,1-2H3,(H,8,9,10);1-2H;3H,1-2H3;1-2H2
InChIKeyJRXUTYBYDCBFFI-UHFFFAOYSA-N
XLogP1.46
TPSA185.94 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.90
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine?
The IUPAC name of 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine (CID 159006003) is 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine.
What is the SMILES notation for 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine?
The canonical SMILES for 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine is CN(C)c1cc(Cl)ncn1.CN(C)c1cc(NN)ncn1.CNC.Clc1cc(Cl)ncn1.NN.
What is the InChIKey of 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine?
The InChIKey is JRXUTYBYDCBFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3.C6H11N5.C4H2Cl2N2.C2H7N.H4N2/c1-10(2)6-3-5(7)8-4-9-6;1-11(2)6-3-5(10-7)8-4-9-6;5-3-1-4(6)8-2-7-3;1-3-2;1-2/h3-4H,1-2H3;3-4H,7H2,1-2H3,(H,8,9,10);1-2H;3H,1-2H3;1-2H2.
What are the key properties of 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine?
6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine has a molecular weight of 536.90 g/mol, XLogP of 1.46, 3 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine is sourced from PubChem (CID 159006003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).