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

C12H21N5 — CID 80905091

IUPACN-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(NN)cc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C12H21N5/c1-8(2)17(7-10-4-5-10)12-6-11(16-13)14-9(3)15-12/h6,8,10H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyXFCNGYHYRGLHRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds5

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

N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 80905091) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID80905091
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(NN)cc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C12H21N5/c1-8(2)17(7-10-4-5-10)12-6-11(16-13)14-9(3)15-12/h6,8,10H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyXFCNGYHYRGLHRY-UHFFFAOYSA-N
XLogP1.70
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
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-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80821545
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80961049
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555
6-ethoxy-2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 79703231
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
6-hydrazinyl-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80900949
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80895894
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80800000
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine (CID 80905091) is N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1nc(NN)cc(N(CC2CC2)C(C)C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is XFCNGYHYRGLHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8(2)17(7-10-4-5-10)12-6-11(16-13)14-9(3)15-12/h6,8,10H,4-5,7,13H2,1-3H3,(H,14,15,16).
What are the key properties of N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine?
N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80905091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).