N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

C14H27N5 — CID 113458137

IUPACN-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NC(C)C(C)(C)C)n1
InChIInChI=1S/C14H27N5/c1-7-8-11-17-12(9(2)13(18-11)19-15)16-10(3)14(4,5)6/h10H,7-8,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyRTYDOWIVUMYEQL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.87
Rot. Bonds5

About N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 113458137) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID113458137
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NC(C)C(C)(C)C)n1
InChIInChI=1S/C14H27N5/c1-7-8-11-17-12(9(2)13(18-11)19-15)16-10(3)14(4,5)6/h10H,7-8,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyRTYDOWIVUMYEQL-UHFFFAOYSA-N
XLogP2.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (CID 113458137) is N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(NC(C)C(C)(C)C)n1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is RTYDOWIVUMYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-7-8-11-17-12(9(2)13(18-11)19-15)16-10(3)14(4,5)6/h10H,7-8,15H2,1-6H3,(H2,16,17,18,19).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 113458137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).