5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C8H14N4O2 — CID 20570033

IUPAC5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)CNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,14)4-11-7-10-3-5(9)6(13)12-7/h3,14H,4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyJEELRQXXRXDJQN-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.47
Rot. Bonds3

About 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 20570033) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID20570033
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)CNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,14)4-11-7-10-3-5(9)6(13)12-7/h3,14H,4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyJEELRQXXRXDJQN-UHFFFAOYSA-N
XLogP-0.47
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 20570033) is 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(C)(O)CNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is JEELRQXXRXDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,14)4-11-7-10-3-5(9)6(13)12-7/h3,14H,4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 20570033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).