3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol

C12H21N5O — CID 91780541

IUPAC3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-17(3-2-4-18)11-7-10(15-12(14)16-11)8-5-9(13)6-8/h7-9,18H,2-6,13H2,1H3,(H2,14,15,16)
InChIKeyQYEBMXKFWWDTAZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.08
Rot. Bonds5

About 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol

3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol (PubChem CID 91780541) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol
PubChem CID91780541
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-17(3-2-4-18)11-7-10(15-12(14)16-11)8-5-9(13)6-8/h7-9,18H,2-6,13H2,1H3,(H2,14,15,16)
InChIKeyQYEBMXKFWWDTAZ-UHFFFAOYSA-N
XLogP0.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol (CID 91780541) is 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol is CN(CCCO)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is QYEBMXKFWWDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-17(3-2-4-18)11-7-10(15-12(14)16-11)8-5-9(13)6-8/h7-9,18H,2-6,13H2,1H3,(H2,14,15,16).
What are the key properties of 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol?
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 91780541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).