[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol

C20H31N5O2 — CID 57399107

IUPAC[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
SMILESCC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)
InChIKeyOJSZEXPISQGVRD-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.10
Rot. Bonds8

About [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol

[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 57399107) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID57399107
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
SMILESCC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)
InChIKeyOJSZEXPISQGVRD-UHFFFAOYSA-N
XLogP3.10
TPSA86.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol (CID 57399107) is [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol is CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1.
What is the InChIKey of [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is OJSZEXPISQGVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 373.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 57399107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).