4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol

C14H26N4O — CID 135260404

IUPAC4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol
SMILESCCCCNc1nc(N)nc(C)c1CCC(C)(C)O
InChIInChI=1S/C14H26N4O/c1-5-6-9-16-12-11(7-8-14(3,4)19)10(2)17-13(15)18-12/h19H,5-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyTZJBKIJLWHSIJX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.28
Rot. Bonds7

About 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol

4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol (PubChem CID 135260404) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol
PubChem CID135260404
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol
SMILESCCCCNc1nc(N)nc(C)c1CCC(C)(C)O
InChIInChI=1S/C14H26N4O/c1-5-6-9-16-12-11(7-8-14(3,4)19)10(2)17-13(15)18-12/h19H,5-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyTZJBKIJLWHSIJX-UHFFFAOYSA-N
XLogP2.28
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.28
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 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol (CID 135260404) is 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol is CCCCNc1nc(N)nc(C)c1CCC(C)(C)O.
What is the InChIKey of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol?
The InChIKey is TZJBKIJLWHSIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-9-16-12-11(7-8-14(3,4)19)10(2)17-13(15)18-12/h19H,5-9H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol?
4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 135260404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).