[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

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

2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80984976
[1-(6-amino-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629520
2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541823
2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80983989
[1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80993933
[1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80977068
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
1-(6-amino-2,5-dimethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80823336
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307

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).