5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine

C12H20N4O2 — CID 116782235

IUPAC5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine
SMILESCCOC1(c2ncc(CN)c(N)n2)CCOCC1
InChIInChI=1S/C12H20N4O2/c1-2-18-12(3-5-17-6-4-12)11-15-8-9(7-13)10(14)16-11/h8H,2-7,13H2,1H3,(H2,14,15,16)
InChIKeyLAWRCXKKDJCOQC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.56
Rot. Bonds4

About 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine

5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine (PubChem CID 116782235) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine
PubChem CID116782235
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine
SMILESCCOC1(c2ncc(CN)c(N)n2)CCOCC1
InChIInChI=1S/C12H20N4O2/c1-2-18-12(3-5-17-6-4-12)11-15-8-9(7-13)10(14)16-11/h8H,2-7,13H2,1H3,(H2,14,15,16)
InChIKeyLAWRCXKKDJCOQC-UHFFFAOYSA-N
XLogP0.56
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine (CID 116782235) is 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine is CCOC1(c2ncc(CN)c(N)n2)CCOCC1.
What is the InChIKey of 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine?
The InChIKey is LAWRCXKKDJCOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-18-12(3-5-17-6-4-12)11-15-8-9(7-13)10(14)16-11/h8H,2-7,13H2,1H3,(H2,14,15,16).
What are the key properties of 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine?
5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 116782235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).