N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C13H23N3O — CID 64533832

IUPACN-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC(C)c1ncc(CNCC(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-5-17-11(4)13-15-8-12(9-16-13)7-14-6-10(2)3/h8-11,14H,5-7H2,1-4H3
InChIKeyBWRNSBYJFOPWNL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds7

About N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64533832) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID64533832
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC(C)c1ncc(CNCC(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-5-17-11(4)13-15-8-12(9-16-13)7-14-6-10(2)3/h8-11,14H,5-7H2,1-4H3
InChIKeyBWRNSBYJFOPWNL-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778844
1-[2-(1-ethoxyethyl)pyrimidin-5-yl]butan-2-amine
CID 64535247
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 116731235
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62292568
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 64533832) is N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is CCOC(C)c1ncc(CNCC(C)C)cn1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BWRNSBYJFOPWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-17-11(4)13-15-8-12(9-16-13)7-14-6-10(2)3/h8-11,14H,5-7H2,1-4H3.
What are the key properties of N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64533832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).