5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136956643

IUPAC5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2CCOCC2)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(13-6-14-10(8)15)12-5-7-1-3-16-4-2-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyZVRCZMTZDDCDFP-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.37
Rot. Bonds3

About 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one

5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956643) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956643
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2CCOCC2)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(13-6-14-10(8)15)12-5-7-1-3-16-4-2-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyZVRCZMTZDDCDFP-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586349
5-bromo-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723606
5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756220
5-bromo-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786679
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136819575
5-bromo-4-[(3-methyloxan-3-yl)amino]-1H-pyrimidin-6-one
CID 136824070
5-bromo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905793
5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956147
5-bromo-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956246
5-bromo-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956268
5-bromo-4-(4-methoxybutylamino)-1H-pyrimidin-6-one
CID 136956371
5-iodo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136956641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one (CID 136956643) is 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2CCOCC2)c1Br.
What is the InChIKey of 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is ZVRCZMTZDDCDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-9(13-6-14-10(8)15)12-5-7-1-3-16-4-2-7/h6-7H,1-5H2,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).