N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine

C14H26N4 — CID 114216105

IUPACN-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCCC(CC)CN(CC)c1ncncc1CNC
InChIInChI=1S/C14H26N4/c1-5-12(6-2)10-18(7-3)14-13(8-15-4)9-16-11-17-14/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyXRZPJUBXGVLEHQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.46
Rot. Bonds8

About N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine

N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine (PubChem CID 114216105) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
PubChem CID114216105
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCCC(CC)CN(CC)c1ncncc1CNC
InChIInChI=1S/C14H26N4/c1-5-12(6-2)10-18(7-3)14-13(8-15-4)9-16-11-17-14/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyXRZPJUBXGVLEHQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216195
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 66343198
N-ethyl-N-(2-ethylbutyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896487
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216152
N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216358
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
CID 114217117
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114215953

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine (CID 114216105) is N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine is CCC(CC)CN(CC)c1ncncc1CNC.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine?
The InChIKey is XRZPJUBXGVLEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-12(6-2)10-18(7-3)14-13(8-15-4)9-16-11-17-14/h9,11-12,15H,5-8,10H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine?
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).