4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol

C10H19N3O — CID 166697365

IUPAC4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol
SMILESCC(C)C1=CN(C(C)C)C(O)N=C1N
InChIInChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(14)12-9(8)11/h5-7,10,14H,1-4H3,(H2,11,12)
InChIKeyVRYUMPPSFBQFLE-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.88
Rot. Bonds2

About 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol

4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol (PubChem CID 166697365) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol.

Molecular Properties

Compound Name4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol
PubChem CID166697365
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol
SMILESCC(C)C1=CN(C(C)C)C(O)N=C1N
InChIInChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(14)12-9(8)11/h5-7,10,14H,1-4H3,(H2,11,12)
InChIKeyVRYUMPPSFBQFLE-UHFFFAOYSA-N
XLogP0.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol?
The IUPAC name of 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol (CID 166697365) is 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol.
What is the SMILES notation for 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol?
The canonical SMILES for 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol is CC(C)C1=CN(C(C)C)C(O)N=C1N.
What is the InChIKey of 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol?
The InChIKey is VRYUMPPSFBQFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(14)12-9(8)11/h5-7,10,14H,1-4H3,(H2,11,12).
What are the key properties of 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol?
4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol is sourced from PubChem (CID 166697365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).