6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine

C12H21N3O — CID 66330763

IUPAC6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC(C)C(C)CC)ncn1
InChIInChI=1S/C12H21N3O/c1-5-9(3)10(4)15-11-7-12(16-6-2)14-8-13-11/h7-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyHWNZRQANEGLXHL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.72
Rot. Bonds6

About 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine

6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 66330763) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID66330763
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC(C)C(C)CC)ncn1
InChIInChI=1S/C12H21N3O/c1-5-9(3)10(4)15-11-7-12(16-6-2)14-8-13-11/h7-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyHWNZRQANEGLXHL-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 66328442
3-[(6-ethoxypyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113464431
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 133485696
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 66328796
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 66320574
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 99612743
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine (CID 66330763) is 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine is CCOc1cc(NC(C)C(C)CC)ncn1.
What is the InChIKey of 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is HWNZRQANEGLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-9(3)10(4)15-11-7-12(16-6-2)14-8-13-11/h7-10H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66330763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).