4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine

C13H24N4O — CID 112868226

IUPAC4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(NCCCOC)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-5-10(2)15-13-9-12(16-11(3)17-13)14-7-6-8-18-4/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyPJYLLKVOZAGZEY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.44
Rot. Bonds8

About 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine

4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112868226) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112868226
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(NCCCOC)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-5-10(2)15-13-9-12(16-11(3)17-13)14-7-6-8-18-4/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyPJYLLKVOZAGZEY-UHFFFAOYSA-N
XLogP2.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317
4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869720
6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112869661
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
4-N-butan-2-yl-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112868240
4-N-(2-tert-butylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869732
6-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869453
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112868253
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
6-(2-aminoethoxy)-N-(3-methoxypropyl)-2-methylpyrimidin-4-amine
CID 121206105
4-[[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193213

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine (CID 112868226) is 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine is CCC(C)Nc1cc(NCCCOC)nc(C)n1.
What is the InChIKey of 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is PJYLLKVOZAGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10(2)15-13-9-12(16-11(3)17-13)14-7-6-8-18-4/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112868226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).