N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine

C16H29N3O2 — CID 102929118

IUPACN-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCOCCOCCc1nc(C)c(CCNC(C)C)c(C)n1
InChIInChI=1S/C16H29N3O2/c1-12(2)17-8-6-15-13(3)18-16(19-14(15)4)7-9-21-11-10-20-5/h12,17H,6-11H2,1-5H3
InChIKeyMJEZXBKFBSZBGA-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.84
Rot. Bonds10

About N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine

N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine (PubChem CID 102929118) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
PubChem CID102929118
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCOCCOCCc1nc(C)c(CCNC(C)C)c(C)n1
InChIInChI=1S/C16H29N3O2/c1-12(2)17-8-6-15-13(3)18-16(19-14(15)4)7-9-21-11-10-20-5/h12,17H,6-11H2,1-5H3
InChIKeyMJEZXBKFBSZBGA-UHFFFAOYSA-N
XLogP1.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 103150808
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 102929114
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 102929125
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
2-[2-(2-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 62758023
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 104611897
1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 102929088
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine (CID 102929118) is N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine is COCCOCCc1nc(C)c(CCNC(C)C)c(C)n1.
What is the InChIKey of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The InChIKey is MJEZXBKFBSZBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)17-8-6-15-13(3)18-16(19-14(15)4)7-9-21-11-10-20-5/h12,17H,6-11H2,1-5H3.
What are the key properties of N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 102929118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).