3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine

C10H18N4O — CID 142873886

IUPAC3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine
SMILESCCc1ccnc(COCC(N)CN)n1
InChIInChI=1S/C10H18N4O/c1-2-9-3-4-13-10(14-9)7-15-6-8(12)5-11/h3-4,8H,2,5-7,11-12H2,1H3
InChIKeySPYIRJGCGHWPFV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.16
Rot. Bonds6

About 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine

3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine (PubChem CID 142873886) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine.

Molecular Properties

Compound Name3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine
PubChem CID142873886
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine
SMILESCCc1ccnc(COCC(N)CN)n1
InChIInChI=1S/C10H18N4O/c1-2-9-3-4-13-10(14-9)7-15-6-8(12)5-11/h3-4,8H,2,5-7,11-12H2,1H3
InChIKeySPYIRJGCGHWPFV-UHFFFAOYSA-N
XLogP-0.16
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-2-pyridinyl)methoxy]propane-1,2-diamine
CID 142873883
[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
CID 131115318
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 62745395
N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
CID 116898565
[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
CID 106815490
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 103476626
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62747917
1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375481

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine?
The IUPAC name of 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine (CID 142873886) is 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine.
What is the SMILES notation for 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine?
The canonical SMILES for 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine is CCc1ccnc(COCC(N)CN)n1.
What is the InChIKey of 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine?
The InChIKey is SPYIRJGCGHWPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-9-3-4-13-10(14-9)7-15-6-8(12)5-11/h3-4,8H,2,5-7,11-12H2,1H3.
What are the key properties of 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine?
3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpyrimidin-2-yl)methoxy]propane-1,2-diamine is sourced from PubChem (CID 142873886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).