6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine

C16H31N5 — CID 80968795

IUPAC6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C16H31N5/c1-7-13(8-2)21(10-11(3)4)15-9-14(20-17)18-16(19-15)12(5)6/h9,11-13H,7-8,10,17H2,1-6H3,(H,18,19,20)
InChIKeyQKVGBRFCPTWVSE-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.54
Rot. Bonds8

About 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80968795) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80968795
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC(CC)N(CC(C)C)c1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C16H31N5/c1-7-13(8-2)21(10-11(3)4)15-9-14(20-17)18-16(19-15)12(5)6/h9,11-13H,7-8,10,17H2,1-6H3,(H,18,19,20)
InChIKeyQKVGBRFCPTWVSE-UHFFFAOYSA-N
XLogP3.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.54
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-(2-methoxyethyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80964530
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
N-cyclopentyl-6-hydrazinyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968904
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80969280
2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80849271
6-hydrazinyl-N,N-bis(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80963989
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 105421058

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine (CID 80968795) is 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine is CCC(CC)N(CC(C)C)c1cc(NN)nc(C(C)C)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QKVGBRFCPTWVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-7-13(8-2)21(10-11(3)4)15-9-14(20-17)18-16(19-15)12(5)6/h9,11-13H,7-8,10,17H2,1-6H3,(H,18,19,20).
What are the key properties of 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80968795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).