N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine

C15H20ClN5 — CID 80943087

IUPACN-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H20ClN5/c1-3-4-13-18-14(20-17)9-15(19-13)21(2)10-11-5-7-12(16)8-6-11/h5-9H,3-4,10,17H2,1-2H3,(H,18,19,20)
InChIKeyVQJPUVCKIZREGR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.00
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine

N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80943087) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80943087
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC NameN-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H20ClN5/c1-3-4-13-18-14(20-17)9-15(19-13)21(2)10-11-5-7-12(16)8-6-11/h5-9H,3-4,10,17H2,1-2H3,(H,18,19,20)
InChIKeyVQJPUVCKIZREGR-UHFFFAOYSA-N
XLogP3.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-2-propylpyrimidin-4-amine
CID 81064970
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947636
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80942015
N-cyclopropyl-2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]acetamide
CID 80947351
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899795
6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907338
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine (CID 80943087) is N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(N(C)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is VQJPUVCKIZREGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-4-13-18-14(20-17)9-15(19-13)21(2)10-11-5-7-12(16)8-6-11/h5-9H,3-4,10,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80943087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).