2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine

C13H17N5 — CID 80920603

IUPAC2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1Nc1ccnc(NN)n1
InChIInChI=1S/C13H17N5/c1-9(2)10-5-3-4-6-11(10)16-12-7-8-15-13(17-12)18-14/h3-9H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNIWYDIHLWVLLPC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds4

About 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine

2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 80920603) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID80920603
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1Nc1ccnc(NN)n1
InChIInChI=1S/C13H17N5/c1-9(2)10-5-3-4-6-11(10)16-12-7-8-15-13(17-12)18-14/h3-9H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNIWYDIHLWVLLPC-UHFFFAOYSA-N
XLogP2.63
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 53
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-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
2-N-[3-(dimethylamino)propyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887815
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362
4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903112
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903101
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-(2-methoxyethyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885753
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885608
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 80920603) is 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccccc1Nc1ccnc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is NIWYDIHLWVLLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9(2)10-5-3-4-6-11(10)16-12-7-8-15-13(17-12)18-14/h3-9H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80920603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).