5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol

C14H26N4O — CID 106138122

IUPAC5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCCC(C)O
InChIInChI=1S/C14H26N4O/c1-9(19)7-6-8-16-12-10(2)11(15)17-13(18-12)14(3,4)5/h9,19H,6-8H2,1-5H3,(H3,15,16,17,18)
InChIKeyYJULLHOZJJVVBV-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.24
Rot. Bonds5

About 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol

5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106138122) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106138122
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCCC(C)O
InChIInChI=1S/C14H26N4O/c1-9(19)7-6-8-16-12-10(2)11(15)17-13(18-12)14(3,4)5/h9,19H,6-8H2,1-5H3,(H3,15,16,17,18)
InChIKeyYJULLHOZJJVVBV-UHFFFAOYSA-N
XLogP2.24
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.24
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 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol (CID 106138122) is 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol is Cc1c(N)nc(C(C)(C)C)nc1NCCCC(C)O.
What is the InChIKey of 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is YJULLHOZJJVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9(19)7-6-8-16-12-10(2)11(15)17-13(18-12)14(3,4)5/h9,19H,6-8H2,1-5H3,(H3,15,16,17,18).
What are the key properties of 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106138122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).