1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C12H22N6O — CID 123475270

IUPAC1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC(C)(C)Nc1nc(N)c(N)c(N2CCC(O)C2)n1
InChIInChI=1S/C12H22N6O/c1-12(2,3)17-11-15-9(14)8(13)10(16-11)18-5-4-7(19)6-18/h7,19H,4-6,13H2,1-3H3,(H3,14,15,16,17)
InChIKeyFBNKRYOLXZXINE-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.42
Rot. Bonds2

About 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol

1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 123475270) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID123475270
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC(C)(C)Nc1nc(N)c(N)c(N2CCC(O)C2)n1
InChIInChI=1S/C12H22N6O/c1-12(2,3)17-11-15-9(14)8(13)10(16-11)18-5-4-7(19)6-18/h7,19H,4-6,13H2,1-3H3,(H3,14,15,16,17)
InChIKeyFBNKRYOLXZXINE-UHFFFAOYSA-N
XLogP0.42
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 123475270) is 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CC(C)(C)Nc1nc(N)c(N)c(N2CCC(O)C2)n1.
What is the InChIKey of 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is FBNKRYOLXZXINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-12(2,3)17-11-15-9(14)8(13)10(16-11)18-5-4-7(19)6-18/h7,19H,4-6,13H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 266.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 123475270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).