2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine

C12H21N5 — CID 80964832

IUPAC2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5/c1-3-8(2)7-14-10-6-11(17-13)16-12(15-10)9-4-5-9/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyVRWMDOJZDZZVAQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds6

About 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 80964832) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID80964832
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5/c1-3-8(2)7-14-10-6-11(17-13)16-12(15-10)9-4-5-9/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyVRWMDOJZDZZVAQ-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
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

2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80963764
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 80968993
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
2-N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950002
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine (CID 80964832) is 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine is CCC(C)CNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is VRWMDOJZDZZVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-8(2)7-14-10-6-11(17-13)16-12(15-10)9-4-5-9/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80964832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).