N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine

C14H25N3O — CID 114217247

IUPACN-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCC(CC)COc1ncncc1CNC(C)C
InChIInChI=1S/C14H25N3O/c1-5-12(6-2)9-18-14-13(7-15-10-17-14)8-16-11(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3
InChIKeyXBCDPAVJWOWOBG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.79
Rot. Bonds8

About N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114217247) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114217247
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCC(CC)COc1ncncc1CNC(C)C
InChIInChI=1S/C14H25N3O/c1-5-12(6-2)9-18-14-13(7-15-10-17-14)8-16-11(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3
InChIKeyXBCDPAVJWOWOBG-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 114217110
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
1-(4-ethoxypyrimidin-5-yl)propan-2-amine
CID 83875775
N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114217177
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
CID 114217117
N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216966
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216105
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 114217247) is N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine is CCC(CC)COc1ncncc1CNC(C)C.
What is the InChIKey of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is XBCDPAVJWOWOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-12(6-2)9-18-14-13(7-15-10-17-14)8-16-11(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114217247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).