[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C14H24N4O — CID 112629494

IUPAC[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCNc1cc(N2CCC(CO)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15-4)7-12(17-13)18-6-5-10(8-18)9-19/h7,10,19H,5-6,8-9H2,1-4H3,(H,15,16,17)
InChIKeyABEAATDZQNHHTH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds3

About [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 112629494) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID112629494
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCNc1cc(N2CCC(CO)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15-4)7-12(17-13)18-6-5-10(8-18)9-19/h7,10,19H,5-6,8-9H2,1-4H3,(H,15,16,17)
InChIKeyABEAATDZQNHHTH-UHFFFAOYSA-N
XLogP1.63
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine
CID 115563096
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80956623
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629749
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936

Frequently Asked Questions

What is the IUPAC name of [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 112629494) is [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CNc1cc(N2CCC(CO)C2)nc(C(C)(C)C)n1.
What is the InChIKey of [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is ABEAATDZQNHHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15-4)7-12(17-13)18-6-5-10(8-18)9-19/h7,10,19H,5-6,8-9H2,1-4H3,(H,15,16,17).
What are the key properties of [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).