1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C14H20N4O — CID 129170820

IUPAC1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)(C)c1nc(N2CCC(O)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-16-11-10(4-6-15-11)12(17-13)18-7-5-9(19)8-18/h4,6,9,19H,5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyRJUNXESEEONDGK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds1

About 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 129170820) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID129170820
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)(C)c1nc(N2CCC(O)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-16-11-10(4-6-15-11)12(17-13)18-7-5-9(19)8-18/h4,6,9,19H,5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyRJUNXESEEONDGK-UHFFFAOYSA-N
XLogP1.83
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 123482741
(3S)-1-[2-tert-butyl-7-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 86305337
(3S)-1-[5-tert-butyl-3-[(2-chloro-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol
CID 86295836
(3S)-1-[6-tert-butyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 85469533
1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 118599322
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963130
(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol
CID 134518362
azepan-1-yl-[(3R)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 96567439
2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
CID 166235530
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 96566817
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 129170820) is 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is CC(C)(C)c1nc(N2CCC(O)C2)c2cc[nH]c2n1.
What is the InChIKey of 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is RJUNXESEEONDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)13-16-11-10(4-6-15-11)12(17-13)18-7-5-9(19)8-18/h4,6,9,19H,5,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 260.34 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129170820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).