2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol

C14H25ClN4O — CID 131878005

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
SMILESCCCCCCCCC(CO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C14H25ClN4O/c1-2-3-4-5-6-7-8-11(9-20)19-14-12(16)13(15)17-10-18-14/h10-11,20H,2-9,16H2,1H3,(H,17,18,19)
InChIKeyGGEMSDNXKNVXLX-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.24
Rot. Bonds10

About 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol

2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol (PubChem CID 131878005) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
PubChem CID131878005
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
SMILESCCCCCCCCC(CO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C14H25ClN4O/c1-2-3-4-5-6-7-8-11(9-20)19-14-12(16)13(15)17-10-18-14/h10-11,20H,2-9,16H2,1H3,(H,17,18,19)
InChIKeyGGEMSDNXKNVXLX-UHFFFAOYSA-N
XLogP3.24
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol (CID 131878005) is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol is CCCCCCCCC(CO)Nc1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol?
The InChIKey is GGEMSDNXKNVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-2-3-4-5-6-7-8-11(9-20)19-14-12(16)13(15)17-10-18-14/h10-11,20H,2-9,16H2,1H3,(H,17,18,19).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol?
2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol has a molecular weight of 300.83 g/mol, XLogP of 3.24, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol is sourced from PubChem (CID 131878005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).