1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

C15H29N5O — CID 107159831

IUPAC1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCc1c(NN)nc(C(C)C)nc1NCC(O)CC(C)(C)C
InChIInChI=1S/C15H29N5O/c1-9(2)12-18-13(10(3)14(19-12)20-16)17-8-11(21)7-15(4,5)6/h9,11,21H,7-8,16H2,1-6H3,(H2,17,18,19,20)
InChIKeyKAINOBFHGHXEDB-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.40
Rot. Bonds6

About 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159831) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107159831
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCc1c(NN)nc(C(C)C)nc1NCC(O)CC(C)(C)C
InChIInChI=1S/C15H29N5O/c1-9(2)12-18-13(10(3)14(19-12)20-16)17-8-11(21)7-15(4,5)6/h9,11,21H,7-8,16H2,1-6H3,(H2,17,18,19,20)
InChIKeyKAINOBFHGHXEDB-UHFFFAOYSA-N
XLogP2.40
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107159831) is 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is Cc1c(NN)nc(C(C)C)nc1NCC(O)CC(C)(C)C.
What is the InChIKey of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is KAINOBFHGHXEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-9(2)12-18-13(10(3)14(19-12)20-16)17-8-11(21)7-15(4,5)6/h9,11,21H,7-8,16H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 295.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).