2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide

C18H25N5O3 — CID 19013268

IUPAC2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1OCCCNCCCNc1nccc(C(N)=O)n1
InChIInChI=1S/C18H25N5O3/c1-25-15-6-2-3-7-16(15)26-13-5-10-20-9-4-11-21-18-22-12-8-14(23-18)17(19)24/h2-3,6-8,12,20H,4-5,9-11,13H2,1H3,(H2,19,24)(H,21,22,23)
InChIKeyFCICTIQZZHWWRO-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.44
Rot. Bonds12

About 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide

2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide (PubChem CID 19013268) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide
PubChem CID19013268
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1OCCCNCCCNc1nccc(C(N)=O)n1
InChIInChI=1S/C18H25N5O3/c1-25-15-6-2-3-7-16(15)26-13-5-10-20-9-4-11-21-18-22-12-8-14(23-18)17(19)24/h2-3,6-8,12,20H,4-5,9-11,13H2,1H3,(H2,19,24)(H,21,22,23)
InChIKeyFCICTIQZZHWWRO-UHFFFAOYSA-N
XLogP1.44
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid
CID 67791937
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
N-[3-(2-methoxyphenoxy)propyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
CID 18980285
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
CID 21321292

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide (CID 19013268) is 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide is COc1ccccc1OCCCNCCCNc1nccc(C(N)=O)n1.
What is the InChIKey of 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide?
The InChIKey is FCICTIQZZHWWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-25-15-6-2-3-7-16(15)26-13-5-10-20-9-4-11-21-18-22-12-8-14(23-18)17(19)24/h2-3,6-8,12,20H,4-5,9-11,13H2,1H3,(H2,19,24)(H,21,22,23).
What are the key properties of 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide?
2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.44, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 19013268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).