5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine

C14H21N5 — CID 50965256

IUPAC5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)CCn1ccnc1C
InChIInChI=1S/C14H21N5/c1-5-13-10-16-11(2)17-14(13)18(4)8-9-19-7-6-15-12(19)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyCZDCDJDHKAYXKI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.99
Rot. Bonds5

About 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine

5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 50965256) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID50965256
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)CCn1ccnc1C
InChIInChI=1S/C14H21N5/c1-5-13-10-16-11(2)17-14(13)18(4)8-9-19-7-6-15-12(19)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyCZDCDJDHKAYXKI-UHFFFAOYSA-N
XLogP1.99
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
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CID 173173325
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine
CID 45216939
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 131900895
ethyl-[2-(2-methylimidazol-1-yl)ethyl]cyanamide
CID 54120032
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-amine
CID 66183472
N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
CID 133398160
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
CID 133398235
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine
CID 54961313
N-methyl-2-(2-methylimidazol-1-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 74243230
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
CID 133398152

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine (CID 50965256) is 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine is CCc1cnc(C)nc1N(C)CCn1ccnc1C.
What is the InChIKey of 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CZDCDJDHKAYXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-13-10-16-11(2)17-14(13)18(4)8-9-19-7-6-15-12(19)3/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine?
5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50965256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).