5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine

C12H20N4O — CID 113388563

IUPAC5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
SMILESCC1OCCC1N(C)c1ncc(CCN)cn1
InChIInChI=1S/C12H20N4O/c1-9-11(4-6-17-9)16(2)12-14-7-10(3-5-13)8-15-12/h7-9,11H,3-6,13H2,1-2H3
InChIKeyHUSZUPCDLWEVCF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds4

About 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine

5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine (PubChem CID 113388563) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
PubChem CID113388563
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
SMILESCC1OCCC1N(C)c1ncc(CCN)cn1
InChIInChI=1S/C12H20N4O/c1-9-11(4-6-17-9)16(2)12-14-7-10(3-5-13)8-15-12/h7-9,11H,3-6,13H2,1-2H3
InChIKeyHUSZUPCDLWEVCF-UHFFFAOYSA-N
XLogP0.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine (CID 113388563) is 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine is CC1OCCC1N(C)c1ncc(CCN)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine?
The InChIKey is HUSZUPCDLWEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(4-6-17-9)16(2)12-14-7-10(3-5-13)8-15-12/h7-9,11H,3-6,13H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine?
5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 113388563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).