N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C13H23N5 — CID 80913297

IUPACN-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCN(CC1CC1)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H23N5/c1-4-18(7-10-5-6-10)13-11(9(2)3)12(17-14)15-8-16-13/h8-10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyWKSFWDVIJAUGEK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80913297) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80913297
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCN(CC1CC1)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H23N5/c1-4-18(7-10-5-6-10)13-11(9(2)3)12(17-14)15-8-16-13/h8-10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyWKSFWDVIJAUGEK-UHFFFAOYSA-N
XLogP2.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
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

6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107403222
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80902394
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80906631
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
N'-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901295
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80919618
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80913297) is N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is CCN(CC1CC1)c1ncnc(NN)c1C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is WKSFWDVIJAUGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-18(7-10-5-6-10)13-11(9(2)3)12(17-14)15-8-16-13/h8-10H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80913297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).