4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 114586476

IUPAC4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyMDAOPPMCIFSMIY-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.32
Rot. Bonds5

About 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one

4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586476) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one
PubChem CID114586476
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyMDAOPPMCIFSMIY-UHFFFAOYSA-N
XLogP1.32
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586451
4-[(1-aminocyclopentyl)methoxy]-5-chloro-1H-pyrimidin-6-one
CID 114586461
4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one
CID 114586468
4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one
CID 114586477
4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586480
4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586481
5-amino-4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one
CID 114586482
4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586484
4-(2-amino-2-methylbutoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586485
5-chloro-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 114676091
5-chloro-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 114676197

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one (CID 114586476) is 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one is CCC(N)(CC)COc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is MDAOPPMCIFSMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one?
4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutoxy)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).