1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine

C10H18N4O — CID 66326356

IUPAC1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCCOc1ncnc(NCC(C)N)c1C
InChIInChI=1S/C10H18N4O/c1-4-15-10-8(3)9(13-6-14-10)12-5-7(2)11/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyKNEGIRFHSRYYOJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.94
Rot. Bonds5

About 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine

1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 66326356) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID66326356
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCCOc1ncnc(NCC(C)N)c1C
InChIInChI=1S/C10H18N4O/c1-4-15-10-8(3)9(13-6-14-10)12-5-7(2)11/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyKNEGIRFHSRYYOJ-UHFFFAOYSA-N
XLogP0.94
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
5-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 82017186
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine (CID 66326356) is 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine is CCOc1ncnc(NCC(C)N)c1C.
What is the InChIKey of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is KNEGIRFHSRYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-15-10-8(3)9(13-6-14-10)12-5-7(2)11/h6-7H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine?
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 66326356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).