[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C14H24N4O — CID 112629493

IUPAC[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CCC(CO)C1
InChIInChI=1S/C14H24N4O/c1-9-11(15)16-13(14(2,3)4)17-12(9)18-6-5-10(7-18)8-19/h10,19H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyZLHHDQUBMWRZBJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds2

About [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 112629493) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID112629493
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CCC(CO)C1
InChIInChI=1S/C14H24N4O/c1-9-11(15)16-13(14(2,3)4)17-12(9)18-6-5-10(7-18)8-19/h10,19H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyZLHHDQUBMWRZBJ-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 112629493) is [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is Cc1c(N)nc(C(C)(C)C)nc1N1CCC(CO)C1.
What is the InChIKey of [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is ZLHHDQUBMWRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-11(15)16-13(14(2,3)4)17-12(9)18-6-5-10(7-18)8-19/h10,19H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).