2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine

C19H29N5O3 — CID 44577026

IUPAC2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(OCCN(C)C)nc(Oc2ccc(CCN)cc2)n1
InChIInChI=1S/C19H29N5O3/c1-24(2)11-13-26-18-14-17(21-10-12-25-3)22-19(23-18)27-16-6-4-15(5-7-16)8-9-20/h4-7,14H,8-13,20H2,1-3H3,(H,21,22,23)
InChIKeyTYIOZLHFSRMBSD-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.77
Rot. Bonds12

About 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine

2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 44577026) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID44577026
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(OCCN(C)C)nc(Oc2ccc(CCN)cc2)n1
InChIInChI=1S/C19H29N5O3/c1-24(2)11-13-26-18-14-17(21-10-12-25-3)22-19(23-18)27-16-6-4-15(5-7-16)8-9-20/h4-7,14H,8-13,20H2,1-3H3,(H,21,22,23)
InChIKeyTYIOZLHFSRMBSD-UHFFFAOYSA-N
XLogP1.77
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine (CID 44577026) is 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1cc(OCCN(C)C)nc(Oc2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is TYIOZLHFSRMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-24(2)11-13-26-18-14-17(21-10-12-25-3)22-19(23-18)27-16-6-4-15(5-7-16)8-9-20/h4-7,14H,8-13,20H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 375.47 g/mol, XLogP of 1.77, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 44577026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).