4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate

C9H14N3O- — CID 171083554

IUPAC4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate
SMILESCCN(c1ccnc([O-])n1)C(C)C
InChIInChI=1S/C9H15N3O/c1-4-12(7(2)3)8-5-6-10-9(13)11-8/h5-7H,4H2,1-3H3,(H,10,11,13)/p-1
InChIKeyZUPOHQIUEPQNFT-UHFFFAOYSA-M
MW180.23 g/mol
LogP0.78
Rot. Bonds3

About 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate

4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate (PubChem CID 171083554) has the molecular formula C9H14N3O- and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate
PubChem CID171083554
Molecular FormulaC9H14N3O-
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate
SMILESCCN(c1ccnc([O-])n1)C(C)C
InChIInChI=1S/C9H15N3O/c1-4-12(7(2)3)8-5-6-10-9(13)11-8/h5-7H,4H2,1-3H3,(H,10,11,13)/p-1
InChIKeyZUPOHQIUEPQNFT-UHFFFAOYSA-M
XLogP0.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-propan-2-yl-N-propylpyrimidin-4-amine
CID 80895366
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
N-ethyl-N-propan-2-ylpyridazin-3-amine
CID 127009585
2-N-ethyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 43265505
6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
CID 64589022
3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80905657
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
[5-[ethyl(propan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372692
4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80775843
4-(2-methylpropylamino)pyrimidin-2-olate
CID 171083586
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
4-[ethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62924784

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate (CID 171083554) is 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate is CCN(c1ccnc([O-])n1)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate?
The InChIKey is ZUPOHQIUEPQNFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N3O/c1-4-12(7(2)3)8-5-6-10-9(13)11-8/h5-7H,4H2,1-3H3,(H,10,11,13)/p-1.
What are the key properties of 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate?
4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate has a molecular weight of 180.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]pyrimidin-2-olate is sourced from PubChem (CID 171083554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).