6-(pyrimidin-4-ylamino)hexan-1-ol

C10H17N3O — CID 107848711

IUPAC6-(pyrimidin-4-ylamino)hexan-1-ol
SMILESOCCCCCCNc1ccncn1
InChIInChI=1S/C10H17N3O/c14-8-4-2-1-3-6-12-10-5-7-11-9-13-10/h5,7,9,14H,1-4,6,8H2,(H,11,12,13)
InChIKeyBUPWDCAOAGVERR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.44
Rot. Bonds7

About 6-(pyrimidin-4-ylamino)hexan-1-ol

6-(pyrimidin-4-ylamino)hexan-1-ol (PubChem CID 107848711) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-(pyrimidin-4-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(pyrimidin-4-ylamino)hexan-1-ol
PubChem CID107848711
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-(pyrimidin-4-ylamino)hexan-1-ol
SMILESOCCCCCCNc1ccncn1
InChIInChI=1S/C10H17N3O/c14-8-4-2-1-3-6-12-10-5-7-11-9-13-10/h5,7,9,14H,1-4,6,8H2,(H,11,12,13)
InChIKeyBUPWDCAOAGVERR-UHFFFAOYSA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(pyrimidin-4-ylamino)hexan-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

N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
2-(pyrimidin-4-ylamino)ethylurea
CID 83113277
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
4-(imidazo[1,2-b]pyridazin-6-ylamino)butan-1-ol
CID 175786677
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 63831910

Frequently Asked Questions

What is the IUPAC name of 6-(pyrimidin-4-ylamino)hexan-1-ol?
The IUPAC name of 6-(pyrimidin-4-ylamino)hexan-1-ol (CID 107848711) is 6-(pyrimidin-4-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(pyrimidin-4-ylamino)hexan-1-ol?
The canonical SMILES for 6-(pyrimidin-4-ylamino)hexan-1-ol is OCCCCCCNc1ccncn1.
What is the InChIKey of 6-(pyrimidin-4-ylamino)hexan-1-ol?
The InChIKey is BUPWDCAOAGVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-8-4-2-1-3-6-12-10-5-7-11-9-13-10/h5,7,9,14H,1-4,6,8H2,(H,11,12,13).
What are the key properties of 6-(pyrimidin-4-ylamino)hexan-1-ol?
6-(pyrimidin-4-ylamino)hexan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrimidin-4-ylamino)hexan-1-ol is sourced from PubChem (CID 107848711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).