N-(7-methyloctyl)-4-propoxypyrimidin-2-amine

C16H29N3O — CID 107816065

IUPACN-(7-methyloctyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCCCCCCC(C)C)n1
InChIInChI=1S/C16H29N3O/c1-4-13-20-15-10-12-18-16(19-15)17-11-8-6-5-7-9-14(2)3/h10,12,14H,4-9,11,13H2,1-3H3,(H,17,18,19)
InChIKeyUGUJZFHRJJGPTF-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.28
Rot. Bonds11

About N-(7-methyloctyl)-4-propoxypyrimidin-2-amine

N-(7-methyloctyl)-4-propoxypyrimidin-2-amine (PubChem CID 107816065) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(7-methyloctyl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(7-methyloctyl)-4-propoxypyrimidin-2-amine
PubChem CID107816065
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(7-methyloctyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCCCCCCC(C)C)n1
InChIInChI=1S/C16H29N3O/c1-4-13-20-15-10-12-18-16(19-15)17-11-8-6-5-7-9-14(2)3/h10,12,14H,4-9,11,13H2,1-3H3,(H,17,18,19)
InChIKeyUGUJZFHRJJGPTF-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-(2-chloro-4-methylpentyl)-4-propoxypyrimidin-2-amine
CID 107156240
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(7-methyloctyl)-4-propoxypyrimidin-2-amine (CID 107816065) is N-(7-methyloctyl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(7-methyloctyl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(7-methyloctyl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCCCCCCC(C)C)n1.
What is the InChIKey of N-(7-methyloctyl)-4-propoxypyrimidin-2-amine?
The InChIKey is UGUJZFHRJJGPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-13-20-15-10-12-18-16(19-15)17-11-8-6-5-7-9-14(2)3/h10,12,14H,4-9,11,13H2,1-3H3,(H,17,18,19).
What are the key properties of N-(7-methyloctyl)-4-propoxypyrimidin-2-amine?
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 107816065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).