N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine

C13H21N7 — CID 114542222

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCCn2nc(C)cc2C)nc(NN)n1
InChIInChI=1S/C13H21N7/c1-9-8-12(17-13(16-9)18-14)15-5-4-6-20-11(3)7-10(2)19-20/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPGZYXVRVKAWIOS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.39
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 114542222) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID114542222
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCCn2nc(C)cc2C)nc(NN)n1
InChIInChI=1S/C13H21N7/c1-9-8-12(17-13(16-9)18-14)15-5-4-6-20-11(3)7-10(2)19-20/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPGZYXVRVKAWIOS-UHFFFAOYSA-N
XLogP1.39
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-6-methylpyrimidine-4-carbothioamide
CID 107548151
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012863
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]-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542224
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
CID 104696655
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
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]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 114542222) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine is Cc1cc(NCCCn2nc(C)cc2C)nc(NN)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is PGZYXVRVKAWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9-8-12(17-13(16-9)18-14)15-5-4-6-20-11(3)7-10(2)19-20/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]-2-hydrazinyl-6-methylpyrimidin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114542222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).