2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

C13H23N5O — CID 110277893

IUPAC2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(NC2CCCNC2)n1
InChIInChI=1S/C13H23N5O/c1-10-8-12(17-11-4-3-5-14-9-11)18-13(16-10)15-6-7-19-2/h8,11,14H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyPRAVOQNDOSLFQI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.01
Rot. Bonds6

About 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (PubChem CID 110277893) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
PubChem CID110277893
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(NC2CCCNC2)n1
InChIInChI=1S/C13H23N5O/c1-10-8-12(17-11-4-3-5-14-9-11)18-13(16-10)15-6-7-19-2/h8,11,14H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyPRAVOQNDOSLFQI-UHFFFAOYSA-N
XLogP1.01
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
2-N-cyclohexyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112910505
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-N-(2-methoxyethyl)-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 86692691
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea
CID 122507220
2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 142401938
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71564571

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (CID 110277893) is 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is COCCNc1nc(C)cc(NC2CCCNC2)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is PRAVOQNDOSLFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-8-12(17-11-4-3-5-14-9-11)18-13(16-10)15-6-7-19-2/h8,11,14H,3-7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 110277893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).