5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine

C13H22N4O — CID 113388560

IUPAC5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine
SMILESCN(CCOCC1CC1)c1ncc(CCN)cn1
InChIInChI=1S/C13H22N4O/c1-17(6-7-18-10-11-2-3-11)13-15-8-12(4-5-14)9-16-13/h8-9,11H,2-7,10,14H2,1H3
InChIKeyBCSFMWDGDIXAEZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds8

About 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine

5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine (PubChem CID 113388560) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine
PubChem CID113388560
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine
SMILESCN(CCOCC1CC1)c1ncc(CCN)cn1
InChIInChI=1S/C13H22N4O/c1-17(6-7-18-10-11-2-3-11)13-15-8-12(4-5-14)9-16-13/h8-9,11H,2-7,10,14H2,1H3
InChIKeyBCSFMWDGDIXAEZ-UHFFFAOYSA-N
XLogP0.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine (CID 113388560) is 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine is CN(CCOCC1CC1)c1ncc(CCN)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine?
The InChIKey is BCSFMWDGDIXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(6-7-18-10-11-2-3-11)13-15-8-12(4-5-14)9-16-13/h8-9,11H,2-7,10,14H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine?
5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 113388560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).