N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine

C16H28N4O — CID 62297528

IUPACN-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1OCCN1CCCC1
InChIInChI=1S/C16H28N4O/c1-4-17-11-14-15(12-18-16(19-14)13(2)3)21-10-9-20-7-5-6-8-20/h12-13,17H,4-11H2,1-3H3
InChIKeyCDBAKPLEESIYHV-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.18
Rot. Bonds8

About N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine

N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62297528) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
PubChem CID62297528
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1OCCN1CCCC1
InChIInChI=1S/C16H28N4O/c1-4-17-11-14-15(12-18-16(19-14)13(2)3)21-10-9-20-7-5-6-8-20/h12-13,17H,4-11H2,1-3H3
InChIKeyCDBAKPLEESIYHV-UHFFFAOYSA-N
XLogP2.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-piperidin-1-ylethoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297532
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
N-[[4-methyl-2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189831
N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62287352
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475
N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 79184229
N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297868
N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 103539456
[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80979368

Frequently Asked Questions

What is the IUPAC name of N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine (CID 62297528) is N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1OCCN1CCCC1.
What is the InChIKey of N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is CDBAKPLEESIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-17-11-14-15(12-18-16(19-14)13(2)3)21-10-9-20-7-5-6-8-20/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 292.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62297528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).