6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C15H21N5O — CID 112869661

IUPAC6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(NCc2ccncc2)nc(C)n1
InChIInChI=1S/C15H21N5O/c1-12-19-14(17-6-3-9-21-2)10-15(20-12)18-11-13-4-7-16-8-5-13/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyOWXAJODUDCGYAS-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.24
Rot. Bonds8

About 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112869661) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112869661
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(NCc2ccncc2)nc(C)n1
InChIInChI=1S/C15H21N5O/c1-12-19-14(17-6-3-9-21-2)10-15(20-12)18-11-13-4-7-16-8-5-13/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyOWXAJODUDCGYAS-UHFFFAOYSA-N
XLogP2.24
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869720
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112868253
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
4-N-(5-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873602
methyl 4-[[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112873631
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112869661) is 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is COCCCNc1cc(NCc2ccncc2)nc(C)n1.
What is the InChIKey of 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is OWXAJODUDCGYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-19-14(17-6-3-9-21-2)10-15(20-12)18-11-13-4-7-16-8-5-13/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).