3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C14H25N5O — CID 81005910

IUPAC3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1N(C)CC1CC(O)C1
InChIInChI=1S/C14H25N5O/c1-8(2)12-16-13(18-15)9(3)14(17-12)19(4)7-10-5-11(20)6-10/h8,10-11,20H,5-7,15H2,1-4H3,(H,16,17,18)
InChIKeyJXERCWZOWSNGLQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.40
Rot. Bonds5

About 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 81005910) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID81005910
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1N(C)CC1CC(O)C1
InChIInChI=1S/C14H25N5O/c1-8(2)12-16-13(18-15)9(3)14(17-12)19(4)7-10-5-11(20)6-10/h8,10-11,20H,5-7,15H2,1-4H3,(H,16,17,18)
InChIKeyJXERCWZOWSNGLQ-UHFFFAOYSA-N
XLogP1.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81006464
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207600
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
6-hydrazinyl-N,5-dimethyl-N-(2-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 81007010
N-cyclopropyl-6-hydrazinyl-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80995786
4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80985609
3-[[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80993026
6-hydrazinyl-N,2,5-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 80913259
6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80910084

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 81005910) is 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is Cc1c(NN)nc(C(C)C)nc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is JXERCWZOWSNGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-8(2)12-16-13(18-15)9(3)14(17-12)19(4)7-10-5-11(20)6-10/h8,10-11,20H,5-7,15H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 81005910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).