N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine

C16H28N4O — CID 122572317

IUPACN'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine
SMILESCCCCc1nc(C)cc(NCCNC2CCCOC2)n1
InChIInChI=1S/C16H28N4O/c1-3-4-7-15-19-13(2)11-16(20-15)18-9-8-17-14-6-5-10-21-12-14/h11,14,17H,3-10,12H2,1-2H3,(H,18,19,20)
InChIKeyAQJGGLFKCUGGBQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.31
Rot. Bonds8

About N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine

N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 122572317) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine
PubChem CID122572317
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine
SMILESCCCCc1nc(C)cc(NCCNC2CCCOC2)n1
InChIInChI=1S/C16H28N4O/c1-3-4-7-15-19-13(2)11-16(20-15)18-9-8-17-14-6-5-10-21-12-14/h11,14,17H,3-10,12H2,1-2H3,(H,18,19,20)
InChIKeyAQJGGLFKCUGGBQ-UHFFFAOYSA-N
XLogP2.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.31
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

2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 80657743
6-methyl-2-(oxolan-3-ylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80653914
(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
CID 97112978
(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97136277
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112912645
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxan-3-amine
CID 115718385
2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624

Frequently Asked Questions

What is the IUPAC name of N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine (CID 122572317) is N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine is CCCCc1nc(C)cc(NCCNC2CCCOC2)n1.
What is the InChIKey of N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is AQJGGLFKCUGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-4-7-15-19-13(2)11-16(20-15)18-9-8-17-14-6-5-10-21-12-14/h11,14,17H,3-10,12H2,1-2H3,(H,18,19,20).
What are the key properties of N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine?
N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butyl-6-methylpyrimidin-4-yl)-N-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 122572317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).