N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine

C13H21N7O — CID 114542224

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCOc1c(NN)ncnc1NCCCn1nc(C)cc1C
InChIInChI=1S/C13H21N7O/c1-9-7-10(2)20(19-9)6-4-5-15-12-11(21-3)13(18-14)17-8-16-12/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyXTFXMGFMXQETHL-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.09
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine (PubChem CID 114542224) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine
PubChem CID114542224
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCOc1c(NN)ncnc1NCCCn1nc(C)cc1C
InChIInChI=1S/C13H21N7O/c1-9-7-10(2)20(19-9)6-4-5-15-12-11(21-3)13(18-14)17-8-16-12/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyXTFXMGFMXQETHL-UHFFFAOYSA-N
XLogP1.09
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163669
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
CID 104696655
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine (CID 114542224) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine is COc1c(NN)ncnc1NCCCn1nc(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The InChIKey is XTFXMGFMXQETHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-9-7-10(2)20(19-9)6-4-5-15-12-11(21-3)13(18-14)17-8-16-12/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 114542224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).