2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one

C12H20N4O2 — CID 136572861

IUPAC2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)C1CN(c2cc(=O)[nH]c(N)n2)CCO1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)8-7-16(4-5-18-8)9-6-10(17)15-11(13)14-9/h6,8H,4-5,7H2,1-3H3,(H3,13,14,15,17)
InChIKeySNTMBQZPBSQAES-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.60
Rot. Bonds1

About 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one

2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136572861) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136572861
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)C1CN(c2cc(=O)[nH]c(N)n2)CCO1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)8-7-16(4-5-18-8)9-6-10(17)15-11(13)14-9/h6,8H,4-5,7H2,1-3H3,(H3,13,14,15,17)
InChIKeySNTMBQZPBSQAES-UHFFFAOYSA-N
XLogP0.60
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136572861) is 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one is CC(C)(C)C1CN(c2cc(=O)[nH]c(N)n2)CCO1.
What is the InChIKey of 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is SNTMBQZPBSQAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)8-7-16(4-5-18-8)9-6-10(17)15-11(13)14-9/h6,8H,4-5,7H2,1-3H3,(H3,13,14,15,17).
What are the key properties of 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one?
2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-tert-butylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136572861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).